6-(5-chloro-2-methylanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide

C20H19ClN4O — CID 112848578

IUPAC6-(5-chloro-2-methylanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
SMILESCc1nc(Nc2cc(Cl)ccc2C)cc(C(=O)N(C)c2ccccc2)n1
InChIInChI=1S/C20H19ClN4O/c1-13-9-10-15(21)11-17(13)24-19-12-18(22-14(2)23-19)20(26)25(3)16-7-5-4-6-8-16/h4-12H,1-3H3,(H,22,23,24)
InChIKeyZLYLWHICVGNEBI-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.77
Rot. Bonds4

About 6-(5-chloro-2-methylanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide

6-(5-chloro-2-methylanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide (PubChem CID 112848578) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is 6-(5-chloro-2-methylanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(5-chloro-2-methylanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
PubChem CID112848578
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC Name6-(5-chloro-2-methylanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
SMILESCc1nc(Nc2cc(Cl)ccc2C)cc(C(=O)N(C)c2ccccc2)n1
InChIInChI=1S/C20H19ClN4O/c1-13-9-10-15(21)11-17(13)24-19-12-18(22-14(2)23-19)20(26)25(3)16-7-5-4-6-8-16/h4-12H,1-3H3,(H,22,23,24)
InChIKeyZLYLWHICVGNEBI-UHFFFAOYSA-N
XLogP4.77
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3,5-dichloroanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 112848621
6-(5-chloro-2-methylanilino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109368669
N,2-dimethyl-N-phenyl-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 112848591
6-(4-fluoroanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 112848573
6-(4-tert-butylanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 112848571
2-(4-chloro-2-methylanilino)-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 109335319
N,2-dimethyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109373533
6-(5-chloro-2-methylanilino)-2-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109371146
6-[2-(4-methoxyphenoxy)ethylamino]-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 109373626
N-butyl-6-(2,5-dichloroanilino)-N,2-dimethylpyrimidine-4-carboxamide
CID 112847113
N-(4-chlorophenyl)-6-(2,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112848919
6-(benzylamino)-N-(5-chloro-2-methylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109368304

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-methylanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of 6-(5-chloro-2-methylanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide (CID 112848578) is 6-(5-chloro-2-methylanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(5-chloro-2-methylanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(5-chloro-2-methylanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide is Cc1nc(Nc2cc(Cl)ccc2C)cc(C(=O)N(C)c2ccccc2)n1.
What is the InChIKey of 6-(5-chloro-2-methylanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide?
The InChIKey is ZLYLWHICVGNEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c1-13-9-10-15(21)11-17(13)24-19-12-18(22-14(2)23-19)20(26)25(3)16-7-5-4-6-8-16/h4-12H,1-3H3,(H,22,23,24).
What are the key properties of 6-(5-chloro-2-methylanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide?
6-(5-chloro-2-methylanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide has a molecular weight of 366.85 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-methylanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112848578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).