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

C12H13BrN4O — CID 82861687

IUPAC4-N-(4-bromo-3-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(Nc2ccc(Br)c(OC)c2)ncn1
InChIInChI=1S/C12H13BrN4O/c1-14-11-6-12(16-7-15-11)17-8-3-4-9(13)10(5-8)18-2/h3-7H,1-2H3,(H2,14,15,16,17)
InChIKeyYXXANASOLYGPPU-UHFFFAOYSA-N
MW309.17 g/mol
LogP3.03
Rot. Bonds4

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

4-N-(4-bromo-3-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine (PubChem CID 82861687) has the molecular formula C12H13BrN4O and a molecular weight of 309.17 g/mol. Its IUPAC name is 4-N-(4-bromo-3-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-bromo-3-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
PubChem CID82861687
Molecular FormulaC12H13BrN4O
Molecular Weight309.17 g/mol
Exact Mass308.03
IUPAC Name4-N-(4-bromo-3-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(Nc2ccc(Br)c(OC)c2)ncn1
InChIInChI=1S/C12H13BrN4O/c1-14-11-6-12(16-7-15-11)17-8-3-4-9(13)10(5-8)18-2/h3-7H,1-2H3,(H2,14,15,16,17)
InChIKeyYXXANASOLYGPPU-UHFFFAOYSA-N
XLogP3.03
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.17
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-(4-bromo-3-methoxyphenyl)-6-N-methylpyrimidine-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-dimethoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80759827
4-N-(4-bromo-3-methoxyphenyl)-6-N-methylpyrimidine-2,4,6-triamine
CID 82862436
4-N-(4-bromo-3-chlorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 107617790
4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 53261245
4-N-[4-bromo-3-(trifluoromethyl)phenyl]-6-N-methylpyrimidine-4,6-diamine
CID 80842036
4-N-(3,4-difluorophenyl)-6-N-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine
CID 112866560
N-(4-bromo-3-methoxyphenyl)-1-methylimidazol-2-amine
CID 106579210
4-N-(2,5-dimethoxyphenyl)-6-N-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine
CID 112866453
N-(4-bromo-3-methoxyphenyl)-2-(methylamino)pyridine-4-carboxamide
CID 82859455
N-(4-bromo-3-methoxyphenyl)-2-hydrazinylpyrimidin-4-amine
CID 82861467
8-N-(4-bromo-3-methoxyphenyl)-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine
CID 82860804
6-N-(3,4-difluorophenyl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine
CID 112867113

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-bromo-3-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-bromo-3-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine (CID 82861687) is 4-N-(4-bromo-3-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-bromo-3-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-bromo-3-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine is CNc1cc(Nc2ccc(Br)c(OC)c2)ncn1.
What is the InChIKey of 4-N-(4-bromo-3-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is YXXANASOLYGPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O/c1-14-11-6-12(16-7-15-11)17-8-3-4-9(13)10(5-8)18-2/h3-7H,1-2H3,(H2,14,15,16,17).
What are the key properties of 4-N-(4-bromo-3-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine?
4-N-(4-bromo-3-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 309.17 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-bromo-3-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 82861687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).