6-(3,5-dichloroanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide

C19H16Cl2N4O — CID 112848621

IUPAC6-(3,5-dichloroanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
SMILESCc1nc(Nc2cc(Cl)cc(Cl)c2)cc(C(=O)N(C)c2ccccc2)n1
InChIInChI=1S/C19H16Cl2N4O/c1-12-22-17(19(26)25(2)16-6-4-3-5-7-16)11-18(23-12)24-15-9-13(20)8-14(21)10-15/h3-11H,1-2H3,(H,22,23,24)
InChIKeyPXPVKBWBRXUJOZ-UHFFFAOYSA-N
MW387.27 g/mol
LogP5.11
Rot. Bonds4

About 6-(3,5-dichloroanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide

6-(3,5-dichloroanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide (PubChem CID 112848621) has the molecular formula C19H16Cl2N4O and a molecular weight of 387.27 g/mol. Its IUPAC name is 6-(3,5-dichloroanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3,5-dichloroanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
PubChem CID112848621
Molecular FormulaC19H16Cl2N4O
Molecular Weight387.27 g/mol
Exact Mass386.07
IUPAC Name6-(3,5-dichloroanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
SMILESCc1nc(Nc2cc(Cl)cc(Cl)c2)cc(C(=O)N(C)c2ccccc2)n1
InChIInChI=1S/C19H16Cl2N4O/c1-12-22-17(19(26)25(2)16-6-4-3-5-7-16)11-18(23-12)24-15-9-13(20)8-14(21)10-15/h3-11H,1-2H3,(H,22,23,24)
InChIKeyPXPVKBWBRXUJOZ-UHFFFAOYSA-N
XLogP5.11
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.27
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-fluoroanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 112848573
6-(5-chloro-2-methylanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 112848578
6-(4-tert-butylanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 112848571
5-(3,5-dichloroanilino)-N-methyl-N-phenylpyridine-2-carboxamide
CID 109197632
N,2-dimethyl-N-phenyl-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 112848591
N,2-dimethyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109373533
5-(3-chloroanilino)-N-methyl-N-phenylpyrazine-2-carboxamide
CID 109290227
6-[(4-methoxyphenyl)methylamino]-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 109370374
6-(furan-2-ylmethylamino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 109367985
2-[[6-(3,5-dichloroanilino)-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113194958
N-benzyl-6-(3-chloroanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 112846465
6-[2-(4-methoxyphenoxy)ethylamino]-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 109373626

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dichloroanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of 6-(3,5-dichloroanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide (CID 112848621) is 6-(3,5-dichloroanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3,5-dichloroanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(3,5-dichloroanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide is Cc1nc(Nc2cc(Cl)cc(Cl)c2)cc(C(=O)N(C)c2ccccc2)n1.
What is the InChIKey of 6-(3,5-dichloroanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide?
The InChIKey is PXPVKBWBRXUJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4O/c1-12-22-17(19(26)25(2)16-6-4-3-5-7-16)11-18(23-12)24-15-9-13(20)8-14(21)10-15/h3-11H,1-2H3,(H,22,23,24).
What are the key properties of 6-(3,5-dichloroanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide?
6-(3,5-dichloroanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide has a molecular weight of 387.27 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dichloroanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112848621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).