N-[(4-chlorophenyl)methyl]-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide

C20H19ClN4O — CID 109370162

IUPACN-[(4-chlorophenyl)methyl]-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide
SMILESCc1cccc(Nc2cc(C(=O)NCc3ccc(Cl)cc3)nc(C)n2)c1
InChIInChI=1S/C20H19ClN4O/c1-13-4-3-5-17(10-13)25-19-11-18(23-14(2)24-19)20(26)22-12-15-6-8-16(21)9-7-15/h3-11H,12H2,1-2H3,(H,22,26)(H,23,24,25)
InChIKeyHQXMNODBIURKEB-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.42
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide

N-[(4-chlorophenyl)methyl]-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide (PubChem CID 109370162) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide
PubChem CID109370162
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC NameN-[(4-chlorophenyl)methyl]-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide
SMILESCc1cccc(Nc2cc(C(=O)NCc3ccc(Cl)cc3)nc(C)n2)c1
InChIInChI=1S/C20H19ClN4O/c1-13-4-3-5-17(10-13)25-19-11-18(23-14(2)24-19)20(26)22-12-15-6-8-16(21)9-7-15/h3-11H,12H2,1-2H3,(H,22,26)(H,23,24,25)
InChIKeyHQXMNODBIURKEB-UHFFFAOYSA-N
XLogP4.42
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-(3-methylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109369063
N-[(4-chlorophenyl)methyl]-6-(4-fluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 109370177
6-(3-methoxyanilino)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109369092
N-[(4-chlorophenyl)methyl]-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109370199
N-[(4-chlorophenyl)methyl]-2-methyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109360404
2-methyl-6-(3-methylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 112846602
N-[(4-chlorophenyl)methyl]-2-methyl-6-(propylamino)pyrimidine-4-carboxamide
CID 109360009
6-(3-cyanoanilino)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369939
2-methyl-N-[(4-methylphenyl)methyl]-6-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109369078
methyl 3-[[6-[(4-fluorophenyl)methylcarbamoyl]-2-methylpyrimidin-4-yl]amino]benzoate
CID 109369929
2-methyl-6-(3-methylanilino)pyrimidine-4-carboxylic acid
CID 82293662
6-(2-fluoroanilino)-2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109368872

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide (CID 109370162) is N-[(4-chlorophenyl)methyl]-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide is Cc1cccc(Nc2cc(C(=O)NCc3ccc(Cl)cc3)nc(C)n2)c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide?
The InChIKey is HQXMNODBIURKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c1-13-4-3-5-17(10-13)25-19-11-18(23-14(2)24-19)20(26)22-12-15-6-8-16(21)9-7-15/h3-11H,12H2,1-2H3,(H,22,26)(H,23,24,25).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide?
N-[(4-chlorophenyl)methyl]-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide has a molecular weight of 366.85 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109370162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).