Basic information
- CAS
100973-67-9- Standard SMILES
CCOC(=O)c1cnc(SC)nc1NCc1ccccc1- InChIKey
JUVBOQHAEZDXDP-UHFFFAOYSA-N- Molecular formula
- C15H17N3O2S
- Average molar mass
- 303.4 g/mol
- Monoisotopic mass
- 303.10414797
Names & identifiers
- Preferred name
- Ethyl 4-(benzylamino)-2-(methylthio)pyrimidine-5-carboxylate
- IUPAC
- ethyl 4-(benzylamino)-2-methylsulfanylpyrimidine-5-carboxylate
- English name
- Ethyl 4-(benzylamino)-2-(methylthio)pyrimidine-5-carboxylate
- Molecular formula
- C15H17N3O2S
- Molecular weight
- 303.38
Names & synonyms
100973-67-9ethyl 4-(benzylamino)-2-(methylthio)pyrimidine-5-carboxylateethyl 4-(benzylamino)-2-methylsulfanylpyrimidine-5-carboxylateMFCD002998775-Pyrimidinecarboxylic acid, 2-(methylthio)-4-[(phenylmethyl)amino]-, ethyl esterETHYL 4-(BENZYLAMINO)-2-(METHYLSULFANYL)PYRIMIDINE-5-CARBOXYLATEJUVBOQHAEZDXDP-UHFFFAOYSA-NNSC165308SCHEMBL445955DTXSID40304291STL438695AKOS000733845
Show more names
TOSLAB 798029Ethyl 4-(benzylamino)-2-(methylthio)pyrimidine-5-carbox
CCG-312313NSC-165308SB58118DB-058545CS-0079028D74014F603993ethyl 2-methylthio-4-[benzylamino]-pyrimidine-5-carboxylate
Database identifiers
- CAS
100973-67-9- PubChem CID
- 295705
- DTXSID
DTXSID40304291
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 89.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 324
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers14 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
泰州同新生物医药科技有限公司0523-86818997 18652728585 · [email protected]
上海肯恩化学科技有限公司13120367189;18621755571 · [email protected]
Jinan Honest Pharm Co., Ltd[email protected]
上海超岚化工科技中心QQ：65489617 13301690235 · [email protected]
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
上海肯恩化学科技有限公司13701870891; 02152215958 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海研邦医药科技有限公司15618536883 · [email protected]
Related reactions
7 records
Compound notes
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