6-[(4-chlorophenyl)methylamino]-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide

C20H19ClN4O — CID 109348709

IUPAC6-[(4-chlorophenyl)methylamino]-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide
SMILESCc1cccc(NC(=O)c2cc(NCc3ccc(Cl)cc3)ncn2)c1C
InChIInChI=1S/C20H19ClN4O/c1-13-4-3-5-17(14(13)2)25-20(26)18-10-19(24-12-23-18)22-11-15-6-8-16(21)9-7-15/h3-10,12H,11H2,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyJJXXCQFQYRHXMM-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.61
Rot. Bonds5

About 6-[(4-chlorophenyl)methylamino]-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide

6-[(4-chlorophenyl)methylamino]-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide (PubChem CID 109348709) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)methylamino]-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[(4-chlorophenyl)methylamino]-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide
PubChem CID109348709
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC Name6-[(4-chlorophenyl)methylamino]-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide
SMILESCc1cccc(NC(=O)c2cc(NCc3ccc(Cl)cc3)ncn2)c1C
InChIInChI=1S/C20H19ClN4O/c1-13-4-3-5-17(14(13)2)25-20(26)18-10-19(24-12-23-18)22-11-15-6-8-16(21)9-7-15/h3-10,12H,11H2,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyJJXXCQFQYRHXMM-UHFFFAOYSA-N
XLogP4.61
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 ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(benzylamino)-N-(4-chloro-2-methylphenyl)pyrimidine-4-carboxamide
CID 109346550
6-[(4-chlorophenyl)methylamino]-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide
CID 109348749
6-[(4-chlorophenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
CID 109348697
N-(2-methylphenyl)-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347068
N-(2,3-dimethylphenyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109353533
6-[(4-chlorophenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109348751
N-[(4-chlorophenyl)methyl]-6-[(4-chlorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109348666
N-[(4-chlorophenyl)methyl]-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347267
N-(4-chloro-2-methylphenyl)-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109349100
N-(2,5-dimethylphenyl)-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347317
6-(benzylamino)-N-(2-chlorophenyl)pyrimidine-4-carboxamide
CID 109346545
N-(3-chlorophenyl)-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347330

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)methylamino]-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-[(4-chlorophenyl)methylamino]-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide (CID 109348709) is 6-[(4-chlorophenyl)methylamino]-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[(4-chlorophenyl)methylamino]-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-[(4-chlorophenyl)methylamino]-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide is Cc1cccc(NC(=O)c2cc(NCc3ccc(Cl)cc3)ncn2)c1C.
What is the InChIKey of 6-[(4-chlorophenyl)methylamino]-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide?
The InChIKey is JJXXCQFQYRHXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c1-13-4-3-5-17(14(13)2)25-20(26)18-10-19(24-12-23-18)22-11-15-6-8-16(21)9-7-15/h3-10,12H,11H2,1-2H3,(H,25,26)(H,22,23,24).
What are the key properties of 6-[(4-chlorophenyl)methylamino]-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide?
6-[(4-chlorophenyl)methylamino]-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide has a molecular weight of 366.85 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)methylamino]-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109348709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).