2-methyl-N-(4-methylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide

C17H22N4O — CID 109362017

IUPAC2-methyl-N-(4-methylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(NCC(C)C)nc(C)n2)cc1
InChIInChI=1S/C17H22N4O/c1-11(2)10-18-16-9-15(19-13(4)20-16)17(22)21-14-7-5-12(3)6-8-14/h5-9,11H,10H2,1-4H3,(H,21,22)(H,18,19,20)
InChIKeyRRMHUUIBOHLHBJ-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.41
Rot. Bonds5

About 2-methyl-N-(4-methylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide

2-methyl-N-(4-methylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide (PubChem CID 109362017) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-methyl-N-(4-methylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(4-methylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide
PubChem CID109362017
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name2-methyl-N-(4-methylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(NCC(C)C)nc(C)n2)cc1
InChIInChI=1S/C17H22N4O/c1-11(2)10-18-16-9-15(19-13(4)20-16)17(22)21-14-7-5-12(3)6-8-14/h5-9,11H,10H2,1-4H3,(H,21,22)(H,18,19,20)
InChIKeyRRMHUUIBOHLHBJ-UHFFFAOYSA-N
XLogP3.41
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)-6-(2-methylpropylamino)-2-phenylpyrimidine-4-carboxamide
CID 112852390
2-methyl-N-(4-methylphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109361248
N-(4-chloro-2-methylphenyl)-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109362045
N-(4-bromo-2-methylphenyl)-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109362090
2-methyl-6-(2-methylpropylamino)-N-prop-2-enylpyrimidine-4-carboxamide
CID 109361353
6-[(3,4-dimethoxyphenyl)methylamino]-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109372823
N-[2-(dimethylamino)ethyl]-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109361940
6-(cyclohexylamino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109363847
6-(butan-2-ylamino)-N-(4-tert-butylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109362417
6-(3-acetamidoanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 112848448
6-(butylamino)-N-(4-chlorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109361659
N-(4-tert-butylphenyl)-2-methyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109361268

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-methylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide?
The IUPAC name of 2-methyl-N-(4-methylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide (CID 109362017) is 2-methyl-N-(4-methylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-methyl-N-(4-methylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide?
The canonical SMILES for 2-methyl-N-(4-methylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide is Cc1ccc(NC(=O)c2cc(NCC(C)C)nc(C)n2)cc1.
What is the InChIKey of 2-methyl-N-(4-methylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide?
The InChIKey is RRMHUUIBOHLHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-11(2)10-18-16-9-15(19-13(4)20-16)17(22)21-14-7-5-12(3)6-8-14/h5-9,11H,10H2,1-4H3,(H,21,22)(H,18,19,20).
What are the key properties of 2-methyl-N-(4-methylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide?
2-methyl-N-(4-methylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109362017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).