N-(4-fluorophenyl)-2,6-dimethylpyrimidine-4-carboxamide

C13H12FN3O — CID 110858651

IUPACN-(4-fluorophenyl)-2,6-dimethylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(F)cc2)nc(C)n1
InChIInChI=1S/C13H12FN3O/c1-8-7-12(16-9(2)15-8)13(18)17-11-5-3-10(14)4-6-11/h3-7H,1-2H3,(H,17,18)
InChIKeyGGNHPMRFVSCJFD-UHFFFAOYSA-N
MW245.26 g/mol
LogP2.48
Rot. Bonds2

About N-(4-fluorophenyl)-2,6-dimethylpyrimidine-4-carboxamide

N-(4-fluorophenyl)-2,6-dimethylpyrimidine-4-carboxamide (PubChem CID 110858651) has the molecular formula C13H12FN3O and a molecular weight of 245.26 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2,6-dimethylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2,6-dimethylpyrimidine-4-carboxamide
PubChem CID110858651
Molecular FormulaC13H12FN3O
Molecular Weight245.26 g/mol
Exact Mass245.10
IUPAC NameN-(4-fluorophenyl)-2,6-dimethylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(F)cc2)nc(C)n1
InChIInChI=1S/C13H12FN3O/c1-8-7-12(16-9(2)15-8)13(18)17-11-5-3-10(14)4-6-11/h3-7H,1-2H3,(H,17,18)
InChIKeyGGNHPMRFVSCJFD-UHFFFAOYSA-N
XLogP2.48
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-difluorophenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110865349
6-(4-chloroanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849931
N-(4-fluorophenyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109321642
2-(4-cyanoanilino)-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336944
N-(3-acetamidophenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110861303
2-(3-chloro-4-fluoroanilino)-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336900
2-[4-(dimethylamino)anilino]-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336925
6-(butan-2-ylamino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109362419
6-(4-cyanoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849979
6-(3-chloro-4-fluoroanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849936
N-(4-fluorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324278
N-(4-fluorophenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109333116

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2,6-dimethylpyrimidine-4-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-2,6-dimethylpyrimidine-4-carboxamide (CID 110858651) is N-(4-fluorophenyl)-2,6-dimethylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-2,6-dimethylpyrimidine-4-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-2,6-dimethylpyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2ccc(F)cc2)nc(C)n1.
What is the InChIKey of N-(4-fluorophenyl)-2,6-dimethylpyrimidine-4-carboxamide?
The InChIKey is GGNHPMRFVSCJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O/c1-8-7-12(16-9(2)15-8)13(18)17-11-5-3-10(14)4-6-11/h3-7H,1-2H3,(H,17,18).
What are the key properties of N-(4-fluorophenyl)-2,6-dimethylpyrimidine-4-carboxamide?
N-(4-fluorophenyl)-2,6-dimethylpyrimidine-4-carboxamide has a molecular weight of 245.26 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2,6-dimethylpyrimidine-4-carboxamide is sourced from PubChem (CID 110858651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).