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

C21H24N4 — CID 112927170

IUPAC6-methyl-4-N-(3-methylphenyl)-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
SMILESCc1cccc(Nc2cc(C)nc(Nc3ccccc3C(C)C)n2)c1
InChIInChI=1S/C21H24N4/c1-14(2)18-10-5-6-11-19(18)24-21-22-16(4)13-20(25-21)23-17-9-7-8-15(3)12-17/h5-14H,1-4H3,(H2,22,23,24,25)
InChIKeyWSTKPJQYEOCYBE-UHFFFAOYSA-N
MW332.45 g/mol
LogP5.70
Rot. Bonds5

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

6-methyl-4-N-(3-methylphenyl)-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine (PubChem CID 112927170) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is 6-methyl-4-N-(3-methylphenyl)-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-4-N-(3-methylphenyl)-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
PubChem CID112927170
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name6-methyl-4-N-(3-methylphenyl)-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
SMILESCc1cccc(Nc2cc(C)nc(Nc3ccccc3C(C)C)n2)c1
InChIInChI=1S/C21H24N4/c1-14(2)18-10-5-6-11-19(18)24-21-22-16(4)13-20(25-21)23-17-9-7-8-15(3)12-17/h5-14H,1-4H3,(H2,22,23,24,25)
InChIKeyWSTKPJQYEOCYBE-UHFFFAOYSA-N
XLogP5.70
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.45
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-4-N-(3-methylphenyl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927157
2-[[6-methyl-2-(2-propan-2-ylanilino)pyrimidin-4-yl]amino]benzonitrile
CID 112929004
2-N-ethyl-6-methyl-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 80759675
2-N-(4-bromo-3-methylphenyl)-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112927219
4-N-(3-methoxyphenyl)-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112927268
2-N-tert-butyl-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112924762
4-N-(2,4-dimethoxyphenyl)-6-methyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112928987
2-N-benzyl-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112915689
methyl 4-[[4-methyl-6-(2-propan-2-ylanilino)pyrimidin-2-yl]amino]benzoate
CID 112928963
6-methyl-4-N-phenyl-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112926836
4-N-(3-bromophenyl)-2-N-(2,3-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928546
4-N-(furan-2-ylmethyl)-6-methyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112915195

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-N-(3-methylphenyl)-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-4-N-(3-methylphenyl)-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine (CID 112927170) is 6-methyl-4-N-(3-methylphenyl)-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-4-N-(3-methylphenyl)-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-4-N-(3-methylphenyl)-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine is Cc1cccc(Nc2cc(C)nc(Nc3ccccc3C(C)C)n2)c1.
What is the InChIKey of 6-methyl-4-N-(3-methylphenyl)-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine?
The InChIKey is WSTKPJQYEOCYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4/c1-14(2)18-10-5-6-11-19(18)24-21-22-16(4)13-20(25-21)23-17-9-7-8-15(3)12-17/h5-14H,1-4H3,(H2,22,23,24,25).
What are the key properties of 6-methyl-4-N-(3-methylphenyl)-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine?
6-methyl-4-N-(3-methylphenyl)-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine has a molecular weight of 332.45 g/mol, XLogP of 5.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-N-(3-methylphenyl)-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112927170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).