6-chloro-N4-(4-methoxy-benzyl)-pyrimidine-2,4,5-triamine

HCID 86038947
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Basic information

Standard SMILES
COc1ccc(CNc2nc(N)nc(Cl)c2N)cc1
InChIKey
VMNZBOUZSJIQJR-UHFFFAOYSA-N
Molecular formula
C12H14ClN5O
Average molar mass
279.72 g/mol

Names & identifiers

Preferred name
6-chloro-N4-(4-methoxy-benzyl)-pyrimidine-2,4,5-triamine
IUPAC
6-chloro-4-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4,5-triamine

Names & synonyms

SCHEMBL3391705VMNZBOUZSJIQJR-UHFFFAOYSA-N6-chloro-N4-(4-methoxy-benzyl)-pyrimidine-2,4,5-triamine

Database identifiers

PubChem CID
86038947

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
99.1 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
19

Related reactions

2 records
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Compound notes

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