4-N-(3-bromo-4-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine

C15H19BrN4O — CID 80982672

IUPAC4-N-(3-bromo-4-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCOc1ccc(Nc2nc(C(C)C)nc(N)c2C)cc1Br
InChIInChI=1S/C15H19BrN4O/c1-8(2)14-19-13(17)9(3)15(20-14)18-10-5-6-12(21-4)11(16)7-10/h5-8H,1-4H3,(H3,17,18,19,20)
InChIKeyQPMQAEUGSOBQHJ-UHFFFAOYSA-N
MW351.25 g/mol
LogP4.01
Rot. Bonds4

About 4-N-(3-bromo-4-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine

4-N-(3-bromo-4-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80982672) has the molecular formula C15H19BrN4O and a molecular weight of 351.25 g/mol. Its IUPAC name is 4-N-(3-bromo-4-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-bromo-4-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80982672
Molecular FormulaC15H19BrN4O
Molecular Weight351.25 g/mol
Exact Mass350.07
IUPAC Name4-N-(3-bromo-4-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCOc1ccc(Nc2nc(C(C)C)nc(N)c2C)cc1Br
InChIInChI=1S/C15H19BrN4O/c1-8(2)14-19-13(17)9(3)15(20-14)18-10-5-6-12(21-4)11(16)7-10/h5-8H,1-4H3,(H3,17,18,19,20)
InChIKeyQPMQAEUGSOBQHJ-UHFFFAOYSA-N
XLogP4.01
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.25
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-(3-bromo-4-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-(3,4-dimethylphenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80977168
4-N-(3-bromo-4-methoxyphenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine
CID 80982612
4-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]benzonitrile
CID 80981896
4-N-(5-bromo-2-methylphenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80994250
5-methyl-2-propan-2-yl-4-N-(4-propylphenyl)pyrimidine-4,6-diamine
CID 80986116
4-N-(3-bromo-4-chlorophenyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80992031
4-N-(3-bromo-4-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 80846996
4-N-(3-bromo-4-methoxyphenyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83005307
5-methyl-4-N-(2-methylphenyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80976348
4-N-(3-bromo-4-methoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 80924462
4-N-(3-bromo-4-methoxyphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328583
2-cyclopropyl-4-N-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidine-4,6-diamine
CID 80986122

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-bromo-4-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-bromo-4-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine (CID 80982672) is 4-N-(3-bromo-4-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-bromo-4-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-bromo-4-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine is COc1ccc(Nc2nc(C(C)C)nc(N)c2C)cc1Br.
What is the InChIKey of 4-N-(3-bromo-4-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is QPMQAEUGSOBQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4O/c1-8(2)14-19-13(17)9(3)15(20-14)18-10-5-6-12(21-4)11(16)7-10/h5-8H,1-4H3,(H3,17,18,19,20).
What are the key properties of 4-N-(3-bromo-4-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
4-N-(3-bromo-4-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 351.25 g/mol, XLogP of 4.01, 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)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80982672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).