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

C20H22N4O2 — CID 53214669

IUPAC2-(3,4-dimethoxyphenyl)-4-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine
SMILESCOc1ccc(-c2nc(N)cc(Nc3ccc(C)c(C)c3)n2)cc1OC
InChIInChI=1S/C20H22N4O2/c1-12-5-7-15(9-13(12)2)22-19-11-18(21)23-20(24-19)14-6-8-16(25-3)17(10-14)26-4/h5-11H,1-4H3,(H3,21,22,23,24)
InChIKeyIIJUBGFUSZJZQW-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.10
Rot. Bonds5

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

2-(3,4-dimethoxyphenyl)-4-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine (PubChem CID 53214669) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-4-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-4-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine
PubChem CID53214669
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name2-(3,4-dimethoxyphenyl)-4-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine
SMILESCOc1ccc(-c2nc(N)cc(Nc3ccc(C)c(C)c3)n2)cc1OC
InChIInChI=1S/C20H22N4O2/c1-12-5-7-15(9-13(12)2)22-19-11-18(21)23-20(24-19)14-6-8-16(25-3)17(10-14)26-4/h5-11H,1-4H3,(H3,21,22,23,24)
InChIKeyIIJUBGFUSZJZQW-UHFFFAOYSA-N
XLogP4.10
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4-dimethoxyphenyl)-4-N-(3,5-dimethylphenyl)pyrimidine-4,6-diamine
CID 53214670
4-N-(3,5-dichlorophenyl)-2-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine
CID 53214677
4-N-(3-chlorophenyl)-2-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine
CID 53214673
1-[3-[[6-amino-2-(3,4-dimethoxyphenyl)pyrimidin-4-yl]amino]phenyl]ethanone
CID 53214686
4-N-(4-methoxy-3-methylphenyl)pyrimidine-2,4,6-triamine
CID 80802485
2-ethyl-4-N-(4-methoxy-3-methylphenyl)pyrimidine-4,6-diamine
CID 80935459
4-N-(3,4-dimethylphenyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 53214462
4-N-(3-bromo-4-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 80846996
6-amino-2-(3,4-dimethoxyphenyl)pyrimidine-4-carbonitrile
CID 116862627
1-N-(3,4-dimethoxyphenyl)-4-methylbenzene-1,3-diamine
CID 62911783
6-N-(4-methoxy-3-methylphenyl)pyridine-2,3,6-triamine
CID 79828246
6-N-(3,4-dimethoxyphenyl)pyridine-2,3,6-triamine
CID 79823168

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-4-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-4-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine (CID 53214669) is 2-(3,4-dimethoxyphenyl)-4-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-4-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-4-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine is COc1ccc(-c2nc(N)cc(Nc3ccc(C)c(C)c3)n2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-4-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine?
The InChIKey is IIJUBGFUSZJZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-12-5-7-15(9-13(12)2)22-19-11-18(21)23-20(24-19)14-6-8-16(25-3)17(10-14)26-4/h5-11H,1-4H3,(H3,21,22,23,24).
What are the key properties of 2-(3,4-dimethoxyphenyl)-4-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine?
2-(3,4-dimethoxyphenyl)-4-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine has a molecular weight of 350.42 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-4-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 53214669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).