6-(difluoromethyl)pyrimidine-4-carboxamide

C6H5F2N3O — CID 91226965

IUPAC6-(difluoromethyl)pyrimidine-4-carboxamide
SMILESNC(=O)c1cc(C(F)F)ncn1
InChIInChI=1S/C6H5F2N3O/c7-5(8)3-1-4(6(9)12)11-2-10-3/h1-2,5H,(H2,9,12)
InChIKeyHFARPKBGRLMOHF-UHFFFAOYSA-N
MW173.12 g/mol
LogP0.51
Rot. Bonds2

About 6-(difluoromethyl)pyrimidine-4-carboxamide

6-(difluoromethyl)pyrimidine-4-carboxamide (PubChem CID 91226965) has the molecular formula C6H5F2N3O and a molecular weight of 173.12 g/mol. Its IUPAC name is 6-(difluoromethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(difluoromethyl)pyrimidine-4-carboxamide
PubChem CID91226965
Molecular FormulaC6H5F2N3O
Molecular Weight173.12 g/mol
Exact Mass173.04
IUPAC Name6-(difluoromethyl)pyrimidine-4-carboxamide
SMILESNC(=O)c1cc(C(F)F)ncn1
InChIInChI=1S/C6H5F2N3O/c7-5(8)3-1-4(6(9)12)11-2-10-3/h1-2,5H,(H2,9,12)
InChIKeyHFARPKBGRLMOHF-UHFFFAOYSA-N
XLogP0.51
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.12
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrimidine-4-carboxamide
CID 17861762
2-Chloropyrimidine-4,6-dicarboxamide
CID 250943
2-(Trifluoromethyl)pyrimidine-4-carboxamide
CID 17750126
6-Methylpyrimidine-4-carbaldehyde
CID 22185217
2-chloro-N,6-dimethylpyrimidine-4-carboxamide
CID 88855458
6-(Difluoromethyl)pyrimidine4-carbaldehyde
CID 138756293
1-(6-Methylpyrimidin-4-yl)ethanone
CID 10441757
2-Chloro-6-methyl-pyrimidine-4-carboxylic acid amide
CID 12355083
N-(cyclobutylmethyl)-6-methyl-2-(methylamino)-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
CID 137989858
2-Fluoropyrimidine-4-carboxamide
CID 17804391
2,6-Difluoropyrimidine-4-carboxamide
CID 21434376
6-(Trifluoromethyl)-4-pyrimidinecarbonyl chloride
CID 33729130

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(difluoromethyl)pyrimidine-4-carboxamide (CID 91226965) is 6-(difluoromethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(difluoromethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(difluoromethyl)pyrimidine-4-carboxamide is NC(=O)c1cc(C(F)F)ncn1.
What is the InChIKey of 6-(difluoromethyl)pyrimidine-4-carboxamide?
The InChIKey is HFARPKBGRLMOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2N3O/c7-5(8)3-1-4(6(9)12)11-2-10-3/h1-2,5H,(H2,9,12).
What are the key properties of 6-(difluoromethyl)pyrimidine-4-carboxamide?
6-(difluoromethyl)pyrimidine-4-carboxamide has a molecular weight of 173.12 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 91226965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).