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

C20H22N4 — CID 112927325

IUPAC2-N-(3,4-dimethylphenyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
SMILESCc1ccc(Nc2cc(C)nc(Nc3ccc(C)c(C)c3)n2)cc1
InChIInChI=1S/C20H22N4/c1-13-5-8-17(9-6-13)22-19-12-16(4)21-20(24-19)23-18-10-7-14(2)15(3)11-18/h5-12H,1-4H3,(H2,21,22,23,24)
InChIKeyLPWUMMSHYGSAGS-UHFFFAOYSA-N
MW318.42 g/mol
LogP5.20
Rot. Bonds4

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

2-N-(3,4-dimethylphenyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine (PubChem CID 112927325) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-N-(3,4-dimethylphenyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3,4-dimethylphenyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
PubChem CID112927325
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name2-N-(3,4-dimethylphenyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
SMILESCc1ccc(Nc2cc(C)nc(Nc3ccc(C)c(C)c3)n2)cc1
InChIInChI=1S/C20H22N4/c1-13-5-8-17(9-6-13)22-19-12-16(4)21-20(24-19)23-18-10-7-14(2)15(3)11-18/h5-12H,1-4H3,(H2,21,22,23,24)
InChIKeyLPWUMMSHYGSAGS-UHFFFAOYSA-N
XLogP5.20
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.42
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-N,4-N-bis(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927319
4-N-(3,4-dimethylphenyl)-2-N,6-dimethylpyrimidine-2,4-diamine
CID 80754824
6-methyl-4-N-(3-methylphenyl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927157
2-N-(3,4-dimethoxyphenyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927358
2-N-(3-bromophenyl)-4-N-(3,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928197
4-N-(3,4-dimethylphenyl)-6-methyl-2-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
CID 112928213
2-N-(5-chloro-2-methylphenyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927340
6-methyl-4-N-(4-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80762323
5-fluoro-2-methyl-N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
CID 53048980
4-N-cycloheptyl-2-N-(3,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112924888
2-N-(4-bromo-3-methylphenyl)-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112927219
2-N-butan-2-yl-4-N-(3,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112909132

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,4-dimethylphenyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(3,4-dimethylphenyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine (CID 112927325) is 2-N-(3,4-dimethylphenyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(3,4-dimethylphenyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(3,4-dimethylphenyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine is Cc1ccc(Nc2cc(C)nc(Nc3ccc(C)c(C)c3)n2)cc1.
What is the InChIKey of 2-N-(3,4-dimethylphenyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine?
The InChIKey is LPWUMMSHYGSAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-13-5-8-17(9-6-13)22-19-12-16(4)21-20(24-19)23-18-10-7-14(2)15(3)11-18/h5-12H,1-4H3,(H2,21,22,23,24).
What are the key properties of 2-N-(3,4-dimethylphenyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine?
2-N-(3,4-dimethylphenyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine has a molecular weight of 318.42 g/mol, XLogP of 5.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,4-dimethylphenyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112927325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).