4-N-(3-bromo-4-methoxyphenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine

C15H17BrN4O — CID 80982612

IUPAC4-N-(3-bromo-4-methoxyphenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine
SMILESCOc1ccc(Nc2nc(C3CC3)nc(N)c2C)cc1Br
InChIInChI=1S/C15H17BrN4O/c1-8-13(17)19-15(9-3-4-9)20-14(8)18-10-5-6-12(21-2)11(16)7-10/h5-7,9H,3-4H2,1-2H3,(H3,17,18,19,20)
InChIKeyPGZAUVIYCCJGSD-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.76
Rot. Bonds4

About 4-N-(3-bromo-4-methoxyphenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine

4-N-(3-bromo-4-methoxyphenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine (PubChem CID 80982612) has the molecular formula C15H17BrN4O and a molecular weight of 349.23 g/mol. Its IUPAC name is 4-N-(3-bromo-4-methoxyphenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-bromo-4-methoxyphenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine
PubChem CID80982612
Molecular FormulaC15H17BrN4O
Molecular Weight349.23 g/mol
Exact Mass348.06
IUPAC Name4-N-(3-bromo-4-methoxyphenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine
SMILESCOc1ccc(Nc2nc(C3CC3)nc(N)c2C)cc1Br
InChIInChI=1S/C15H17BrN4O/c1-8-13(17)19-15(9-3-4-9)20-14(8)18-10-5-6-12(21-2)11(16)7-10/h5-7,9H,3-4H2,1-2H3,(H3,17,18,19,20)
InChIKeyPGZAUVIYCCJGSD-UHFFFAOYSA-N
XLogP3.76
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-4-N-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidine-4,6-diamine
CID 80986122
2-cyclopropyl-4-N-(3,4-dimethylphenyl)-5-methylpyrimidine-4,6-diamine
CID 80975985
4-N-(3-bromo-4-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80982672
2-cyclopropyl-4-N-(3,5-dimethylphenyl)-5-methylpyrimidine-4,6-diamine
CID 80981554
4-N-(4-bromo-3,5-dimethylphenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine
CID 107580689
2-cyclopropyl-4-N-(4-fluorophenyl)-5-methylpyrimidine-4,6-diamine
CID 80981221
2-cyclopropyl-4-N-(3-fluorophenyl)-5-methylpyrimidine-4,6-diamine
CID 80977204
4-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]benzonitrile
CID 80982222
N-(4-bromo-3-fluorophenyl)-2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 81006460
4-N-(4-bromo-2,6-dimethylphenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine
CID 80982498
N-(5-bromo-2-methoxyphenyl)-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80979347
2-cyclopropyl-4-N-(3,4-dimethylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80977442

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-bromo-4-methoxyphenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-bromo-4-methoxyphenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine (CID 80982612) is 4-N-(3-bromo-4-methoxyphenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-bromo-4-methoxyphenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-bromo-4-methoxyphenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine is COc1ccc(Nc2nc(C3CC3)nc(N)c2C)cc1Br.
What is the InChIKey of 4-N-(3-bromo-4-methoxyphenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine?
The InChIKey is PGZAUVIYCCJGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O/c1-8-13(17)19-15(9-3-4-9)20-14(8)18-10-5-6-12(21-2)11(16)7-10/h5-7,9H,3-4H2,1-2H3,(H3,17,18,19,20).
What are the key properties of 4-N-(3-bromo-4-methoxyphenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine?
4-N-(3-bromo-4-methoxyphenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine has a molecular weight of 349.23 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-bromo-4-methoxyphenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80982612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).