6-methyl-N-(3-methylphenyl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide

C22H24N4O — CID 109334985

IUPAC6-methyl-N-(3-methylphenyl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
SMILESCc1cccc(NC(=O)c2cc(C)nc(Nc3ccc(C(C)C)cc3)n2)c1
InChIInChI=1S/C22H24N4O/c1-14(2)17-8-10-18(11-9-17)25-22-23-16(4)13-20(26-22)21(27)24-19-7-5-6-15(3)12-19/h5-14H,1-4H3,(H,24,27)(H,23,25,26)
InChIKeyBFCZGIIKJHSSLC-UHFFFAOYSA-N
MW360.46 g/mol
LogP5.21
Rot. Bonds5

About 6-methyl-N-(3-methylphenyl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide

6-methyl-N-(3-methylphenyl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide (PubChem CID 109334985) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 6-methyl-N-(3-methylphenyl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(3-methylphenyl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
PubChem CID109334985
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name6-methyl-N-(3-methylphenyl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
SMILESCc1cccc(NC(=O)c2cc(C)nc(Nc3ccc(C(C)C)cc3)n2)c1
InChIInChI=1S/C22H24N4O/c1-14(2)17-8-10-18(11-9-17)25-22-23-16(4)13-20(26-22)21(27)24-19-7-5-6-15(3)12-19/h5-14H,1-4H3,(H,24,27)(H,23,25,26)
InChIKeyBFCZGIIKJHSSLC-UHFFFAOYSA-N
XLogP5.21
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-6-methyl-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109336543
2-(3-bromoanilino)-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109335028
2-anilino-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109334524
2-(3-acetamidoanilino)-N-(3,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109335973
2-(4-fluoroanilino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336871
N-(3-acetamidophenyl)-2-(4-fluoroanilino)-6-methylpyrimidine-4-carboxamide
CID 109336863
2-(3,5-dimethylanilino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109335915
2-(4-bromoanilino)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109335162
2-(3-acetylanilino)-N-(4-chlorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337165
2-(4-fluoroanilino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336848
6-methyl-2-(3-methylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109333205
2-(4-chloroanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109313921

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(3-methylphenyl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide?
The IUPAC name of 6-methyl-N-(3-methylphenyl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide (CID 109334985) is 6-methyl-N-(3-methylphenyl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-methyl-N-(3-methylphenyl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for 6-methyl-N-(3-methylphenyl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide is Cc1cccc(NC(=O)c2cc(C)nc(Nc3ccc(C(C)C)cc3)n2)c1.
What is the InChIKey of 6-methyl-N-(3-methylphenyl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide?
The InChIKey is BFCZGIIKJHSSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-14(2)17-8-10-18(11-9-17)25-22-23-16(4)13-20(26-22)21(27)24-19-7-5-6-15(3)12-19/h5-14H,1-4H3,(H,24,27)(H,23,25,26).
What are the key properties of 6-methyl-N-(3-methylphenyl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide?
6-methyl-N-(3-methylphenyl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 5.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(3-methylphenyl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109334985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).