2-cyclopropyl-N-(1,1-difluoropropan-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide

C11H13F2N3O2 — CID 154845666

IUPAC2-cyclopropyl-N-(1,1-difluoropropan-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCC(NC(=O)c1cc(=O)[nH]c(C2CC2)n1)C(F)F
InChIInChI=1S/C11H13F2N3O2/c1-5(9(12)13)14-11(18)7-4-8(17)16-10(15-7)6-2-3-6/h4-6,9H,2-3H2,1H3,(H,14,18)(H,15,16,17)
InChIKeyDZXSTVPHNVHVEV-UHFFFAOYSA-N
MW257.24 g/mol
LogP1.03
Rot. Bonds4

About 2-cyclopropyl-N-(1,1-difluoropropan-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide

2-cyclopropyl-N-(1,1-difluoropropan-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 154845666) has the molecular formula C11H13F2N3O2 and a molecular weight of 257.24 g/mol. Its IUPAC name is 2-cyclopropyl-N-(1,1-difluoropropan-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-(1,1-difluoropropan-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID154845666
Molecular FormulaC11H13F2N3O2
Molecular Weight257.24 g/mol
Exact Mass257.10
IUPAC Name2-cyclopropyl-N-(1,1-difluoropropan-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCC(NC(=O)c1cc(=O)[nH]c(C2CC2)n1)C(F)F
InChIInChI=1S/C11H13F2N3O2/c1-5(9(12)13)14-11(18)7-4-8(17)16-10(15-7)6-2-3-6/h4-6,9H,2-3H2,1H3,(H,14,18)(H,15,16,17)
InChIKeyDZXSTVPHNVHVEV-UHFFFAOYSA-N
XLogP1.03
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-cyclopropyl-N-(1,1-difluoropropan-2-yl)-6-oxo-1H-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

CID 145136644
CID 145136644
CID 135978395
CID 135978395
CID 136095368
CID 136095368
CID 136095557
CID 136095557
CID 136095568
CID 136095568
CID 136095578
CID 136095578
CID 136095842
CID 136095842
CID 136103137
CID 136103137
CID 136103267
CID 136103267
CID 136103273
CID 136103273
CID 136103309
CID 136103309
CID 136103316
CID 136103316

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(1,1-difluoropropan-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of 2-cyclopropyl-N-(1,1-difluoropropan-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide (CID 154845666) is 2-cyclopropyl-N-(1,1-difluoropropan-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-(1,1-difluoropropan-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-(1,1-difluoropropan-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide is CC(NC(=O)c1cc(=O)[nH]c(C2CC2)n1)C(F)F.
What is the InChIKey of 2-cyclopropyl-N-(1,1-difluoropropan-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is DZXSTVPHNVHVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3O2/c1-5(9(12)13)14-11(18)7-4-8(17)16-10(15-7)6-2-3-6/h4-6,9H,2-3H2,1H3,(H,14,18)(H,15,16,17).
What are the key properties of 2-cyclopropyl-N-(1,1-difluoropropan-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide?
2-cyclopropyl-N-(1,1-difluoropropan-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 257.24 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(1,1-difluoropropan-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 154845666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).