2,6-difluoropyrimidine-4-carboxamide

C5H3F2N3O — CID 21434376

IUPAC2,6-difluoropyrimidine-4-carboxamide
SMILESNC(=O)c1cc(F)nc(F)n1
InChIInChI=1S/C5H3F2N3O/c6-3-1-2(4(8)11)9-5(7)10-3/h1H,(H2,8,11)
InChIKeyNJHDTSOAXCBXTA-UHFFFAOYSA-N
MW159.09 g/mol
LogP-0.15
Rot. Bonds1

About 2,6-difluoropyrimidine-4-carboxamide

2,6-difluoropyrimidine-4-carboxamide (PubChem CID 21434376) has the molecular formula C5H3F2N3O and a molecular weight of 159.09 g/mol. Its IUPAC name is 2,6-difluoropyrimidine-4-carboxamide.

Molecular Properties

Compound Name2,6-difluoropyrimidine-4-carboxamide
PubChem CID21434376
Molecular FormulaC5H3F2N3O
Molecular Weight159.09 g/mol
Exact Mass159.02
IUPAC Name2,6-difluoropyrimidine-4-carboxamide
SMILESNC(=O)c1cc(F)nc(F)n1
InChIInChI=1S/C5H3F2N3O/c6-3-1-2(4(8)11)9-5(7)10-3/h1H,(H2,8,11)
InChIKeyNJHDTSOAXCBXTA-UHFFFAOYSA-N
XLogP-0.15
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.09
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrimidine-4-carboxamide
CID 17861762
6-Amino-2-chloropyrimidine-4-carboxamide
CID 240908
2,6-Dichloropyrimidine-4-carboxamide
CID 241128
2-(Trifluoromethyl)pyrimidine-4-carboxamide
CID 17750126
2,6-Diaminopyrimidine-4-carboxamide
CID 240909
2-Chloro-6-methyl-pyrimidine-4-carboxylic acid amide
CID 12355083
2-Fluoropyrimidine-4-carboxamide
CID 17804391
2,6-Difluoropyrimidine-4-carbonyl chloride
CID 53685234
N-(trifluoromethyl)pyrimidine-4-carboxamide
CID 69114206
6-[Methyl(2,2,2-trifluoroethyl)amino]pyrimidine-4-carboxamide
CID 90798205
2-Methyl-6-(trifluoromethyl)pyrimidine-4-carboxamide
CID 90880210
2,6-Bis(trifluoromethyl)pyrimidine-4-carboxamide
CID 91163579

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoropyrimidine-4-carboxamide?
The IUPAC name of 2,6-difluoropyrimidine-4-carboxamide (CID 21434376) is 2,6-difluoropyrimidine-4-carboxamide.
What is the SMILES notation for 2,6-difluoropyrimidine-4-carboxamide?
The canonical SMILES for 2,6-difluoropyrimidine-4-carboxamide is NC(=O)c1cc(F)nc(F)n1.
What is the InChIKey of 2,6-difluoropyrimidine-4-carboxamide?
The InChIKey is NJHDTSOAXCBXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F2N3O/c6-3-1-2(4(8)11)9-5(7)10-3/h1H,(H2,8,11).
What are the key properties of 2,6-difluoropyrimidine-4-carboxamide?
2,6-difluoropyrimidine-4-carboxamide has a molecular weight of 159.09 g/mol, XLogP of -0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoropyrimidine-4-carboxamide is sourced from PubChem (CID 21434376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).