4-N-(2,4-dimethoxyphenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine

C17H24N4O2 — CID 112864033

IUPAC4-N-(2,4-dimethoxyphenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
SMILESCOc1ccc(Nc2cc(NCCC(C)C)ncn2)c(OC)c1
InChIInChI=1S/C17H24N4O2/c1-12(2)7-8-18-16-10-17(20-11-19-16)21-14-6-5-13(22-3)9-15(14)23-4/h5-6,9-12H,7-8H2,1-4H3,(H2,18,19,20,21)
InChIKeyNIVUZIICNNNIFK-UHFFFAOYSA-N
MW316.41 g/mol
LogP3.70
Rot. Bonds8

About 4-N-(2,4-dimethoxyphenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine

4-N-(2,4-dimethoxyphenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine (PubChem CID 112864033) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 4-N-(2,4-dimethoxyphenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,4-dimethoxyphenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
PubChem CID112864033
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name4-N-(2,4-dimethoxyphenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
SMILESCOc1ccc(Nc2cc(NCCC(C)C)ncn2)c(OC)c1
InChIInChI=1S/C17H24N4O2/c1-12(2)7-8-18-16-10-17(20-11-19-16)21-14-6-5-13(22-3)9-15(14)23-4/h5-6,9-12H,7-8H2,1-4H3,(H2,18,19,20,21)
InChIKeyNIVUZIICNNNIFK-UHFFFAOYSA-N
XLogP3.70
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-(2,4-dimethoxyphenyl)-6-N-(3-methylbutyl)pyrimidine-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-(2-methoxyphenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112864024
4-N-(2,4-dimethoxyphenyl)-6-N-pentylpyrimidine-4,6-diamine
CID 112864137
4-N-(3,4-dimethoxyphenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112864034
4-N-(2,4-dimethoxyphenyl)-6-N-[(2-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860142
4-N-(2,4-dimethoxyphenyl)-6-N-[(1-methylpiperidin-3-yl)methyl]pyrimidine-4,6-diamine
CID 133454545
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112862461
4-N-(2-chlorophenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112864012
6-N-(2,3-dichlorophenyl)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,6-diamine
CID 112866516
6-N-butyl-4-N-(2-methoxyphenyl)pyrimidine-4,6-diamine
CID 112855188
4-[[[6-(2,4-dimethoxyanilino)pyrimidin-4-yl]amino]methyl]-N,N-dimethylbenzamide
CID 167755546
6-N-butyl-4-N-(2,4-dimethoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112867967
4-N-(4-fluorophenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112864011

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,4-dimethoxyphenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,4-dimethoxyphenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine (CID 112864033) is 4-N-(2,4-dimethoxyphenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,4-dimethoxyphenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,4-dimethoxyphenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine is COc1ccc(Nc2cc(NCCC(C)C)ncn2)c(OC)c1.
What is the InChIKey of 4-N-(2,4-dimethoxyphenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine?
The InChIKey is NIVUZIICNNNIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-12(2)7-8-18-16-10-17(20-11-19-16)21-14-6-5-13(22-3)9-15(14)23-4/h5-6,9-12H,7-8H2,1-4H3,(H2,18,19,20,21).
What are the key properties of 4-N-(2,4-dimethoxyphenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine?
4-N-(2,4-dimethoxyphenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine has a molecular weight of 316.41 g/mol, XLogP of 3.70, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,4-dimethoxyphenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112864033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).