4-N-(5-bromo-2-methoxyphenyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine

C15H19BrN4O — CID 80785157

IUPAC4-N-(5-bromo-2-methoxyphenyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nc(C)cc(Nc2cc(Br)ccc2OC)n1
InChIInChI=1S/C15H19BrN4O/c1-4-7-17-15-18-10(2)8-14(20-15)19-12-9-11(16)5-6-13(12)21-3/h5-6,8-9H,4,7H2,1-3H3,(H2,17,18,19,20)
InChIKeyXQHURTSGWFXSDM-UHFFFAOYSA-N
MW351.25 g/mol
LogP4.12
Rot. Bonds6

About 4-N-(5-bromo-2-methoxyphenyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine

4-N-(5-bromo-2-methoxyphenyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80785157) has the molecular formula C15H19BrN4O and a molecular weight of 351.25 g/mol. Its IUPAC name is 4-N-(5-bromo-2-methoxyphenyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-bromo-2-methoxyphenyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
PubChem CID80785157
Molecular FormulaC15H19BrN4O
Molecular Weight351.25 g/mol
Exact Mass350.07
IUPAC Name4-N-(5-bromo-2-methoxyphenyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nc(C)cc(Nc2cc(Br)ccc2OC)n1
InChIInChI=1S/C15H19BrN4O/c1-4-7-17-15-18-10(2)8-14(20-15)19-12-9-11(16)5-6-13(12)21-3/h5-6,8-9H,4,7H2,1-3H3,(H2,17,18,19,20)
InChIKeyXQHURTSGWFXSDM-UHFFFAOYSA-N
XLogP4.12
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.25
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-butyl-4-N-(2-methoxy-5-methylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112908400
4-N-(5-bromo-2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 80804517
5-bromo-4-N-(5-bromo-2-methoxyphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80785165
2-N-(4-bromophenyl)-4-N-(2-methoxy-5-methylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930399
4-N-(5-chloro-2-methoxyphenyl)-2-N-(3-methoxypropyl)-6-methylpyrimidine-2,4-diamine
CID 112911985
4-N-(5-bromo-2-fluorophenyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 80788165
4-N-(5-chloro-2-methoxyphenyl)-2-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112921076
4-N-(5-bromo-2-methoxyphenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80940149
4-N-(2,5-dimethoxyphenyl)-6-methyl-2-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112908787
4-N-(2,5-dimethoxyphenyl)-2-N-[2-(4-fluorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112920901
4-N-(5-chloro-2-methoxyphenyl)-6-phenyl-2-N-propylpyrimidine-2,4-diamine
CID 112932591
4-N-(2,5-dimethoxyphenyl)-2-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112920702

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-bromo-2-methoxyphenyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(5-bromo-2-methoxyphenyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine (CID 80785157) is 4-N-(5-bromo-2-methoxyphenyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(5-bromo-2-methoxyphenyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(5-bromo-2-methoxyphenyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine is CCCNc1nc(C)cc(Nc2cc(Br)ccc2OC)n1.
What is the InChIKey of 4-N-(5-bromo-2-methoxyphenyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is XQHURTSGWFXSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4O/c1-4-7-17-15-18-10(2)8-14(20-15)19-12-9-11(16)5-6-13(12)21-3/h5-6,8-9H,4,7H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 4-N-(5-bromo-2-methoxyphenyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine?
4-N-(5-bromo-2-methoxyphenyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 351.25 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-bromo-2-methoxyphenyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80785157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).