N-(2,2-difluorobutyl)pyrimidine-4-carboxamide

C9H11F2N3O — CID 90125008

IUPACN-(2,2-difluorobutyl)pyrimidine-4-carboxamide
SMILESCCC(F)(F)CNC(=O)c1ccncn1
InChIInChI=1S/C9H11F2N3O/c1-2-9(10,11)5-13-8(15)7-3-4-12-6-14-7/h3-4,6H,2,5H2,1H3,(H,13,15)
InChIKeyAMLKPTNPVHQHEO-UHFFFAOYSA-N
MW215.20 g/mol
LogP1.25
Rot. Bonds4

About N-(2,2-difluorobutyl)pyrimidine-4-carboxamide

N-(2,2-difluorobutyl)pyrimidine-4-carboxamide (PubChem CID 90125008) has the molecular formula C9H11F2N3O and a molecular weight of 215.20 g/mol. Its IUPAC name is N-(2,2-difluorobutyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluorobutyl)pyrimidine-4-carboxamide
PubChem CID90125008
Molecular FormulaC9H11F2N3O
Molecular Weight215.20 g/mol
Exact Mass215.09
IUPAC NameN-(2,2-difluorobutyl)pyrimidine-4-carboxamide
SMILESCCC(F)(F)CNC(=O)c1ccncn1
InChIInChI=1S/C9H11F2N3O/c1-2-9(10,11)5-13-8(15)7-3-4-12-6-14-7/h3-4,6H,2,5H2,1H3,(H,13,15)
InChIKeyAMLKPTNPVHQHEO-UHFFFAOYSA-N
XLogP1.25
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,2-difluorobutyl)pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-propylpyrimidine-4-carboxamide
CID 89156251
N-(2-oxopropyl)pyrimidine-4-carboxamide
CID 89020208
N-[2-(icosa-5,8,11,14,17-pentaenoylamino)ethyl]pyrimidine-4-carboxamide
CID 123694479
N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide
CID 153405710
N-(3-methylazetidin-3-yl)pyrimidine-4-carboxamide
CID 131196705
2,2,2-trifluoroethyl pyrimidine-4-carboxylate
CID 154065367
N-(2-thiophen-2-ylethyl)pyrimidine-4-carboxamide
CID 110699104
N-(2-hydroxy-1-methoxyethyl)pyrimidine-4-carboxamide
CID 140723004
4-chloro-N-(2,2-dimethylbutyl)pyridine-2-carboxamide
CID 103461085
N-(2,2-difluorobutyl)acetamide
CID 88583149
N-[1-[4-(trifluoromethoxy)phenyl]ethyl]pyrimidine-4-carboxamide
CID 161315130
N-[2-ethyl-2-(hydroxymethyl)butyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 103843189

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluorobutyl)pyrimidine-4-carboxamide?
The IUPAC name of N-(2,2-difluorobutyl)pyrimidine-4-carboxamide (CID 90125008) is N-(2,2-difluorobutyl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,2-difluorobutyl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,2-difluorobutyl)pyrimidine-4-carboxamide is CCC(F)(F)CNC(=O)c1ccncn1.
What is the InChIKey of N-(2,2-difluorobutyl)pyrimidine-4-carboxamide?
The InChIKey is AMLKPTNPVHQHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N3O/c1-2-9(10,11)5-13-8(15)7-3-4-12-6-14-7/h3-4,6H,2,5H2,1H3,(H,13,15).
What are the key properties of N-(2,2-difluorobutyl)pyrimidine-4-carboxamide?
N-(2,2-difluorobutyl)pyrimidine-4-carboxamide has a molecular weight of 215.20 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluorobutyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 90125008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).