4-Amino-2-(ethylthio)-5-(hydroxymethyl)pyrimidine

HCID 225433
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Basic information

CAS
98432-26-9
Standard SMILES
CCSc1ncc(CO)c(N)n1
InChIKey
AKLCDMLJYNYRJK-UHFFFAOYSA-N
Molecular formula
C7H11N3OS
Average molar mass
185.25 g/mol
Monoisotopic mass
185.06228297

Names & identifiers

Preferred name
4-Amino-2-(ethylthio)-5-(hydroxymethyl)pyrimidine
IUPAC
(4-amino-2-ethylsulfanylpyrimidin-5-yl)methanol
English name
4-Amino-2-(ethylthio)-5-(hydroxymethyl)pyrimidine
Molecular formula
C7H11N3OS
Molecular weight
185.25

Names & synonyms

98432-26-94-Amino-2-(ethylthio)-5-(hydroxymethyl)pyrimidine(4-amino-2-(ethylthio)pyrimidin-5-yl)methanol(4-amino-2-ethylsulfanylpyrimidin-5-yl)methanolMFCD000907965-Pyrimidinemethanol, 4-amino-2-(ethylthio)-[4-amino-2-(ethylsulfanyl)pyrimidin-5-yl]methanol4-Amino-2-(ethylthio)-5-(hydroxymethyl)-pyrimidineMLS0007374724-Amino-2-(ethylthio)-5-pyrimidinemethanolEthioprimSKF 6003
Show more names
RARECHEM AH CK 0020(3-methoxyphenyl)arsonic acid4-Amino-2-(ethylthio)-5-(hydroxym(2-ethylmercapto-4-amino-pyrimidin-5-yl)-methanol(4-Amino-2-(ethylthio)pyrimidin-5-yl)methanol ,98%
SCHEMBL2889845CHEMBL1735742DTXSID20279953AKLCDMLJYNYRJK-UHFFFAOYSA-NHMS2856B04NSC14767NSC-14767AKOS006229040

Database identifiers

CAS
98432-26-9
PubChem CID
225433
DTXSID
DTXSID20279953
ChEMBL
CHEMBL1735742
EC Number
671-061-4

Properties

Computed structural properties

XLogP
0.7
Topological polar surface area
97.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
12

Physicochemical properties

Melting point
158 · 158-159°C
Boiling point
408 · 408.0±30.0 °C(Predicted)
Density
1.32 · 1.32±0.1 g/cm3(Predicted)
pka
13.06 · 13.06±0.10(Predicted)
Sensitive
Stench
Symbol(GHS)
7 · GHS07

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

hs_code
29335990
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
hazard_note
Irritant/Stench

Chemistry & industry

Applications

Uses4-Amino-2-(ethylthio)-5-(hydroxymethyl)pyrimidine inhibits tumor growth in mice.

Upstream & downstream products

Suppliers20 total

郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
南部县诚信科技有限公司0838-5675166 15883665058 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]

Related reactions

3 records
New reaction record

Compound notes

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