6-(4-fluoroanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide

C19H17FN4O — CID 112848573

IUPAC6-(4-fluoroanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccc(F)cc2)cc(C(=O)N(C)c2ccccc2)n1
InChIInChI=1S/C19H17FN4O/c1-13-21-17(19(25)24(2)16-6-4-3-5-7-16)12-18(22-13)23-15-10-8-14(20)9-11-15/h3-12H,1-2H3,(H,21,22,23)
InChIKeyCUQRPRNDTIQZKW-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.94
Rot. Bonds4

About 6-(4-fluoroanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide

6-(4-fluoroanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide (PubChem CID 112848573) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is 6-(4-fluoroanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-fluoroanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
PubChem CID112848573
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC Name6-(4-fluoroanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccc(F)cc2)cc(C(=O)N(C)c2ccccc2)n1
InChIInChI=1S/C19H17FN4O/c1-13-21-17(19(25)24(2)16-6-4-3-5-7-16)12-18(22-13)23-15-10-8-14(20)9-11-15/h3-12H,1-2H3,(H,21,22,23)
InChIKeyCUQRPRNDTIQZKW-UHFFFAOYSA-N
XLogP3.94
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-tert-butylanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 112848571
6-(3,5-dichloroanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 112848621
N-butyl-6-(4-fluoroanilino)-N,2-dimethylpyrimidine-4-carboxamide
CID 112847053
N,2-dimethyl-N-phenyl-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 112848591
6-(4-fluoroanilino)-2-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109371585
6-(5-chloro-2-methylanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 112848578
6-[4-(dimethylamino)anilino]-N-[2-(4-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109371990
4-N,6-N-bis(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877864
N,2-dimethyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109373533
6-[(2-methoxyphenyl)methylamino]-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 109370228
6-(4-chloroanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849931
6-(4-fluoroanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide
CID 112846839

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoroanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of 6-(4-fluoroanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide (CID 112848573) is 6-(4-fluoroanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-fluoroanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-fluoroanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide is Cc1nc(Nc2ccc(F)cc2)cc(C(=O)N(C)c2ccccc2)n1.
What is the InChIKey of 6-(4-fluoroanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide?
The InChIKey is CUQRPRNDTIQZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c1-13-21-17(19(25)24(2)16-6-4-3-5-7-16)12-18(22-13)23-15-10-8-14(20)9-11-15/h3-12H,1-2H3,(H,21,22,23).
What are the key properties of 6-(4-fluoroanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide?
6-(4-fluoroanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide has a molecular weight of 336.37 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoroanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112848573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).