2-(2,5-dimethylanilino)-6-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide

C22H24N4O — CID 109327931

IUPAC2-(2,5-dimethylanilino)-6-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(C)nc(Nc3cc(C)ccc3C)n2)cc1
InChIInChI=1S/C22H24N4O/c1-14-6-9-18(10-7-14)13-23-21(27)20-12-17(4)24-22(26-20)25-19-11-15(2)5-8-16(19)3/h5-12H,13H2,1-4H3,(H,23,27)(H,24,25,26)
InChIKeyLAYPHWSZYQWQJL-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.38
Rot. Bonds5

About 2-(2,5-dimethylanilino)-6-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide

2-(2,5-dimethylanilino)-6-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide (PubChem CID 109327931) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-(2,5-dimethylanilino)-6-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2,5-dimethylanilino)-6-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
PubChem CID109327931
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name2-(2,5-dimethylanilino)-6-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(C)nc(Nc3cc(C)ccc3C)n2)cc1
InChIInChI=1S/C22H24N4O/c1-14-6-9-18(10-7-14)13-23-21(27)20-12-17(4)24-22(26-20)25-19-11-15(2)5-8-16(19)3/h5-12H,13H2,1-4H3,(H,23,27)(H,24,25,26)
InChIKeyLAYPHWSZYQWQJL-UHFFFAOYSA-N
XLogP4.38
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethylanilino)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328764
2-(5-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109329355
2-(3-chloro-2-methylanilino)-6-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327950
N-tert-butyl-2-(2,5-dimethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109332746
N-[(4-chlorophenyl)methyl]-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327781
6-methyl-2-(4-methylanilino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327711
N-benzyl-2-(2,3-dimethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109327266
5-(2,5-dimethylanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 109188662
2-(3-cyanoanilino)-6-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327983
2-(5-chloro-2-methylanilino)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109335156
2-(2,6-dimethylanilino)-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109329340
6-methyl-2-[(4-methylphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109327787

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylanilino)-6-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-(2,5-dimethylanilino)-6-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide (CID 109327931) is 2-(2,5-dimethylanilino)-6-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2,5-dimethylanilino)-6-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2,5-dimethylanilino)-6-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide is Cc1ccc(CNC(=O)c2cc(C)nc(Nc3cc(C)ccc3C)n2)cc1.
What is the InChIKey of 2-(2,5-dimethylanilino)-6-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is LAYPHWSZYQWQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-14-6-9-18(10-7-14)13-23-21(27)20-12-17(4)24-22(26-20)25-19-11-15(2)5-8-16(19)3/h5-12H,13H2,1-4H3,(H,23,27)(H,24,25,26).
What are the key properties of 2-(2,5-dimethylanilino)-6-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide?
2-(2,5-dimethylanilino)-6-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylanilino)-6-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109327931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).