N-[(4-chlorophenyl)methyl]-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide

C20H19ClN4O — CID 109347267

IUPACN-[(4-chlorophenyl)methyl]-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
SMILESCc1ccc(CNc2cc(C(=O)NCc3ccc(Cl)cc3)ncn2)cc1
InChIInChI=1S/C20H19ClN4O/c1-14-2-4-15(5-3-14)11-22-19-10-18(24-13-25-19)20(26)23-12-16-6-8-17(21)9-7-16/h2-10,13H,11-12H2,1H3,(H,23,26)(H,22,24,25)
InChIKeyOBQXMXWTHVMCRE-UHFFFAOYSA-N
MW366.85 g/mol
LogP3.98
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide

N-[(4-chlorophenyl)methyl]-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide (PubChem CID 109347267) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
PubChem CID109347267
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC NameN-[(4-chlorophenyl)methyl]-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
SMILESCc1ccc(CNc2cc(C(=O)NCc3ccc(Cl)cc3)ncn2)cc1
InChIInChI=1S/C20H19ClN4O/c1-14-2-4-15(5-3-14)11-22-19-10-18(24-13-25-19)20(26)23-12-16-6-8-17(21)9-7-16/h2-10,13H,11-12H2,1H3,(H,23,26)(H,22,24,25)
InChIKeyOBQXMXWTHVMCRE-UHFFFAOYSA-N
XLogP3.98
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-6-[(4-chlorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109348666
6-(4-chloroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347450
N-[(4-chlorophenyl)methyl]-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109348753
6-[(3,4-dimethoxyphenyl)methylamino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347409
6-[(4-chlorophenyl)methylamino]-N-pentylpyrimidine-4-carboxamide
CID 109348691
N-(3-chlorophenyl)-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347330
6-(3-chloro-4-fluoroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347455
6-[(4-chlorophenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109348751
N-[(4-chlorophenyl)methyl]-6-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109346134
N-(2,5-dimethylphenyl)-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347317
N-(pyridin-4-ylmethyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350132
6-[(4-chlorophenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
CID 109348697

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide (CID 109347267) is N-[(4-chlorophenyl)methyl]-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide is Cc1ccc(CNc2cc(C(=O)NCc3ccc(Cl)cc3)ncn2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide?
The InChIKey is OBQXMXWTHVMCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c1-14-2-4-15(5-3-14)11-22-19-10-18(24-13-25-19)20(26)23-12-16-6-8-17(21)9-7-16/h2-10,13H,11-12H2,1H3,(H,23,26)(H,22,24,25).
What are the key properties of N-[(4-chlorophenyl)methyl]-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide?
N-[(4-chlorophenyl)methyl]-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide has a molecular weight of 366.85 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109347267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).