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4-[(5-Amino-6-chloropyrimidin-4-yl)amino]-2-(hydroxymethyl)oxolan-3-ol

HCID 429339
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Basic information

CAS
64332-70-3
Standard SMILES
Nc1c(Cl)ncnc1NC1COC(CO)C1O
InChIKey
YBZZKMABDJYTPE-UHFFFAOYSA-N
Molecular formula
C9H13ClN4O3
Average molar mass
260.68 g/mol
Monoisotopic mass
260.067618

Names & identifiers

Preferred name
4-[(5-Amino-6-chloropyrimidin-4-yl)amino]-2-(hydroxymethyl)oxolan-3-ol
IUPAC
4-[(5-amino-6-chloropyrimidin-4-yl)amino]-2-(hydroxymethyl)oxolan-3-ol

Names & synonyms

NSC25393964332-70-3DTXSID90330409NSC-2539392-[(5-Amino-6-chloropyrimidin-4-yl)amino]-1,4-anhydro-2-deoxypentitol

Database identifiers

CAS
64332-70-3
PubChem CID
429339
DTXSID
DTXSID90330409

Properties

Computed structural properties

XLogP
-0.2
Topological polar surface area
114 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
7
Rotatable bonds
3
Heavy atoms
17
Formal charge
0
Complexity
260

Related reactions

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Compound notes

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