6-methyl-2-(3-methylanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide

C22H24N4O — CID 109332517

IUPAC6-methyl-2-(3-methylanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide
SMILESCc1cccc(Nc2nc(C)cc(C(=O)NCCCc3ccccc3)n2)c1
InChIInChI=1S/C22H24N4O/c1-16-8-6-12-19(14-16)25-22-24-17(2)15-20(26-22)21(27)23-13-7-11-18-9-4-3-5-10-18/h3-6,8-10,12,14-15H,7,11,13H2,1-2H3,(H,23,27)(H,24,25,26)
InChIKeyWCWQYSAMKUIABT-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.20
Rot. Bonds7

About 6-methyl-2-(3-methylanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide

6-methyl-2-(3-methylanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide (PubChem CID 109332517) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 6-methyl-2-(3-methylanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-2-(3-methylanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide
PubChem CID109332517
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name6-methyl-2-(3-methylanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide
SMILESCc1cccc(Nc2nc(C)cc(C(=O)NCCCc3ccccc3)n2)c1
InChIInChI=1S/C22H24N4O/c1-16-8-6-12-19(14-16)25-22-24-17(2)15-20(26-22)21(27)23-13-7-11-18-9-4-3-5-10-18/h3-6,8-10,12,14-15H,7,11,13H2,1-2H3,(H,23,27)(H,24,25,26)
InChIKeyWCWQYSAMKUIABT-UHFFFAOYSA-N
XLogP4.20
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-chloro-4-methylanilino)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109332541
2-(2-fluoroanilino)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109332533
6-methyl-2-(3-methylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109333205
N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(3-methylanilino)pyrimidine-4-carboxamide
CID 109330975
2-(3,5-dimethylanilino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327718
2-(3-fluoroanilino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327761
6-methyl-2-(3-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109329774
2-(3-methoxyanilino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109331076
2-(3-acetamidoanilino)-N-benzyl-6-methylpyrimidine-4-carboxamide
CID 109327308
2-(4-cyanoanilino)-6-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109330527
6-methyl-2-(4-methylanilino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327711
2-(3-acetylanilino)-N-benzyl-6-methylpyrimidine-4-carboxamide
CID 109327306

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(3-methylanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-methyl-2-(3-methylanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide (CID 109332517) is 6-methyl-2-(3-methylanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-methyl-2-(3-methylanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-methyl-2-(3-methylanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide is Cc1cccc(Nc2nc(C)cc(C(=O)NCCCc3ccccc3)n2)c1.
What is the InChIKey of 6-methyl-2-(3-methylanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide?
The InChIKey is WCWQYSAMKUIABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-16-8-6-12-19(14-16)25-22-24-17(2)15-20(26-22)21(27)23-13-7-11-18-9-4-3-5-10-18/h3-6,8-10,12,14-15H,7,11,13H2,1-2H3,(H,23,27)(H,24,25,26).
What are the key properties of 6-methyl-2-(3-methylanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide?
6-methyl-2-(3-methylanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(3-methylanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109332517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).