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

C21H24N4O — CID 112927032

IUPAC6-methyl-4-N-(2-methylphenyl)-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccccc2C)nc(Nc2ccc(OC(C)C)cc2)n1
InChIInChI=1S/C21H24N4O/c1-14(2)26-18-11-9-17(10-12-18)23-21-22-16(4)13-20(25-21)24-19-8-6-5-7-15(19)3/h5-14H,1-4H3,(H2,22,23,24,25)
InChIKeyUSTYLKKKXATCRC-UHFFFAOYSA-N
MW348.45 g/mol
LogP5.37
Rot. Bonds6

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

6-methyl-4-N-(2-methylphenyl)-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine (PubChem CID 112927032) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 6-methyl-4-N-(2-methylphenyl)-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-4-N-(2-methylphenyl)-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
PubChem CID112927032
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name6-methyl-4-N-(2-methylphenyl)-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccccc2C)nc(Nc2ccc(OC(C)C)cc2)n1
InChIInChI=1S/C21H24N4O/c1-14(2)26-18-11-9-17(10-12-18)23-21-22-16(4)13-20(25-21)24-19-8-6-5-7-15(19)3/h5-14H,1-4H3,(H2,22,23,24,25)
InChIKeyUSTYLKKKXATCRC-UHFFFAOYSA-N
XLogP5.37
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.45
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2-methoxyphenyl)-6-methyl-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112930435
6-methyl-2-N,4-N-bis(2-methylphenyl)pyrimidine-2,4-diamine;hydrochloride
CID 67948246
4,6-dimethyl-N-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;hydrochloride
CID 18590620
6-methyl-4-N-(4-propan-2-yloxyphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112931098
N-[4-[[4-methyl-6-(2-methylanilino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112927042
4-[[6-methyl-2-(4-propan-2-yloxyanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113194360
6-methyl-4-N-phenyl-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112926836
4-N-(2-fluorophenyl)-6-methyl-2-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112927092
4-N-(1,3-benzodioxol-5-yl)-6-methyl-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112931121
6-methyl-4-N-(4-propan-2-yloxyphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 112907048
4-N-(2,5-dimethylphenyl)-2-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928075
2-N-(4-methoxyphenyl)-6-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112930727

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-N-(2-methylphenyl)-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-4-N-(2-methylphenyl)-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine (CID 112927032) is 6-methyl-4-N-(2-methylphenyl)-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-4-N-(2-methylphenyl)-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-4-N-(2-methylphenyl)-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine is Cc1cc(Nc2ccccc2C)nc(Nc2ccc(OC(C)C)cc2)n1.
What is the InChIKey of 6-methyl-4-N-(2-methylphenyl)-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is USTYLKKKXATCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-14(2)26-18-11-9-17(10-12-18)23-21-22-16(4)13-20(25-21)24-19-8-6-5-7-15(19)3/h5-14H,1-4H3,(H2,22,23,24,25).
What are the key properties of 6-methyl-4-N-(2-methylphenyl)-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine?
6-methyl-4-N-(2-methylphenyl)-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 348.45 g/mol, XLogP of 5.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-N-(2-methylphenyl)-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112927032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).