6-N-(3,4-dimethoxyphenyl)-4-N,2-dimethyl-4-N-phenylpyrimidine-4,6-diamine

C20H22N4O2 — CID 112877180

IUPAC6-N-(3,4-dimethoxyphenyl)-4-N,2-dimethyl-4-N-phenylpyrimidine-4,6-diamine
SMILESCOc1ccc(Nc2cc(N(C)c3ccccc3)nc(C)n2)cc1OC
InChIInChI=1S/C20H22N4O2/c1-14-21-19(23-15-10-11-17(25-3)18(12-15)26-4)13-20(22-14)24(2)16-8-6-5-7-9-16/h5-13H,1-4H3,(H,21,22,23)
InChIKeyHYTGXXOJFKOUAQ-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.31
Rot. Bonds6

About 6-N-(3,4-dimethoxyphenyl)-4-N,2-dimethyl-4-N-phenylpyrimidine-4,6-diamine

6-N-(3,4-dimethoxyphenyl)-4-N,2-dimethyl-4-N-phenylpyrimidine-4,6-diamine (PubChem CID 112877180) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 6-N-(3,4-dimethoxyphenyl)-4-N,2-dimethyl-4-N-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(3,4-dimethoxyphenyl)-4-N,2-dimethyl-4-N-phenylpyrimidine-4,6-diamine
PubChem CID112877180
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name6-N-(3,4-dimethoxyphenyl)-4-N,2-dimethyl-4-N-phenylpyrimidine-4,6-diamine
SMILESCOc1ccc(Nc2cc(N(C)c3ccccc3)nc(C)n2)cc1OC
InChIInChI=1S/C20H22N4O2/c1-14-21-19(23-15-10-11-17(25-3)18(12-15)26-4)13-20(22-14)24(2)16-8-6-5-7-9-16/h5-13H,1-4H3,(H,21,22,23)
InChIKeyHYTGXXOJFKOUAQ-UHFFFAOYSA-N
XLogP4.31
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-N-(3,4-dimethoxyphenyl)-4-N,2-dimethyl-4-N-phenylpyrimidine-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

2-N-(3,4-dimethoxyphenyl)-4-N,6-dimethyl-4-N-phenylpyrimidine-2,4-diamine
CID 112927517
6-N-[4-(diethylamino)phenyl]-4-N,2-dimethyl-4-N-phenylpyrimidine-4,6-diamine
CID 112877193
4-[[2-methyl-6-(N-methylanilino)pyrimidin-4-yl]amino]benzonitrile
CID 112877216
6-N-(4-chloro-2-methoxy-5-methylphenyl)-4-N,2-dimethyl-4-N-phenylpyrimidine-4,6-diamine
CID 112877212
4-N-(3,4-dimethoxyphenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine
CID 80748315
4-N,2-dimethyl-4-N-phenyl-6-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112877176
6-N-(3,4-dimethoxyphenyl)-2-methyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112877687
6-N-(1,3-benzodioxol-5-yl)-4-N-(3,4-dimethoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112878661
6-N-(3-chloro-4-methoxyphenyl)-4-N,4-N-diethyl-2-methylpyrimidine-4,6-diamine
CID 112875685
4-N-butan-2-yl-6-N-(3,4-dimethoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112868353
N-(4-methoxyphenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide
CID 112848508
4-N-(3,4-dimethoxyphenyl)-2-methyl-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112871871

Frequently Asked Questions

What is the IUPAC name of 6-N-(3,4-dimethoxyphenyl)-4-N,2-dimethyl-4-N-phenylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-(3,4-dimethoxyphenyl)-4-N,2-dimethyl-4-N-phenylpyrimidine-4,6-diamine (CID 112877180) is 6-N-(3,4-dimethoxyphenyl)-4-N,2-dimethyl-4-N-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(3,4-dimethoxyphenyl)-4-N,2-dimethyl-4-N-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(3,4-dimethoxyphenyl)-4-N,2-dimethyl-4-N-phenylpyrimidine-4,6-diamine is COc1ccc(Nc2cc(N(C)c3ccccc3)nc(C)n2)cc1OC.
What is the InChIKey of 6-N-(3,4-dimethoxyphenyl)-4-N,2-dimethyl-4-N-phenylpyrimidine-4,6-diamine?
The InChIKey is HYTGXXOJFKOUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-14-21-19(23-15-10-11-17(25-3)18(12-15)26-4)13-20(22-14)24(2)16-8-6-5-7-9-16/h5-13H,1-4H3,(H,21,22,23).
What are the key properties of 6-N-(3,4-dimethoxyphenyl)-4-N,2-dimethyl-4-N-phenylpyrimidine-4,6-diamine?
6-N-(3,4-dimethoxyphenyl)-4-N,2-dimethyl-4-N-phenylpyrimidine-4,6-diamine has a molecular weight of 350.42 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3,4-dimethoxyphenyl)-4-N,2-dimethyl-4-N-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 112877180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).