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

C8H9F2N3O — CID 130184398

IUPACN-(2,2-difluoropropyl)pyrimidine-4-carboxamide
SMILESCC(F)(F)CNC(=O)c1ccncn1
InChIInChI=1S/C8H9F2N3O/c1-8(9,10)4-12-7(14)6-2-3-11-5-13-6/h2-3,5H,4H2,1H3,(H,12,14)
InChIKeyCQAVOMZJIQNKNI-UHFFFAOYSA-N
MW201.18 g/mol
LogP0.86
Rot. Bonds3

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

N-(2,2-difluoropropyl)pyrimidine-4-carboxamide (PubChem CID 130184398) has the molecular formula C8H9F2N3O and a molecular weight of 201.18 g/mol. Its IUPAC name is N-(2,2-difluoropropyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoropropyl)pyrimidine-4-carboxamide
PubChem CID130184398
Molecular FormulaC8H9F2N3O
Molecular Weight201.18 g/mol
Exact Mass201.07
IUPAC NameN-(2,2-difluoropropyl)pyrimidine-4-carboxamide
SMILESCC(F)(F)CNC(=O)c1ccncn1
InChIInChI=1S/C8H9F2N3O/c1-8(9,10)4-12-7(14)6-2-3-11-5-13-6/h2-3,5H,4H2,1H3,(H,12,14)
InChIKeyCQAVOMZJIQNKNI-UHFFFAOYSA-N
XLogP0.86
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoropropyl)pyrimidine-4-carboxamide?
The IUPAC name of N-(2,2-difluoropropyl)pyrimidine-4-carboxamide (CID 130184398) is N-(2,2-difluoropropyl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,2-difluoropropyl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,2-difluoropropyl)pyrimidine-4-carboxamide is CC(F)(F)CNC(=O)c1ccncn1.
What is the InChIKey of N-(2,2-difluoropropyl)pyrimidine-4-carboxamide?
The InChIKey is CQAVOMZJIQNKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N3O/c1-8(9,10)4-12-7(14)6-2-3-11-5-13-6/h2-3,5H,4H2,1H3,(H,12,14).
What are the key properties of N-(2,2-difluoropropyl)pyrimidine-4-carboxamide?
N-(2,2-difluoropropyl)pyrimidine-4-carboxamide has a molecular weight of 201.18 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoropropyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 130184398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).