6-(1-cyclopropylpropan-2-yl)-3-(2-fluoroethyl)-1H-pyrimidine-2,4-dione;formamide

C13H20FN3O3 — CID 143790179

IUPAC6-(1-cyclopropylpropan-2-yl)-3-(2-fluoroethyl)-1H-pyrimidine-2,4-dione;formamide
SMILESCC(CC1CC1)c1cc(=O)n(CCF)c(=O)[nH]1.NC=O
InChIInChI=1S/C12H17FN2O2.CH3NO/c1-8(6-9-2-3-9)10-7-11(16)15(5-4-13)12(17)14-10;2-1-3/h7-9H,2-6H2,1H3,(H,14,17);1H,(H2,2,3)
InChIKeyJVXQZFHBEGTTFY-UHFFFAOYSA-N
MW285.32 g/mol
LogP0.51
Rot. Bonds5

About 6-(1-cyclopropylpropan-2-yl)-3-(2-fluoroethyl)-1H-pyrimidine-2,4-dione;formamide

6-(1-cyclopropylpropan-2-yl)-3-(2-fluoroethyl)-1H-pyrimidine-2,4-dione;formamide (PubChem CID 143790179) has the molecular formula C13H20FN3O3 and a molecular weight of 285.32 g/mol. Its IUPAC name is 6-(1-cyclopropylpropan-2-yl)-3-(2-fluoroethyl)-1H-pyrimidine-2,4-dione;formamide.

Molecular Properties

Compound Name6-(1-cyclopropylpropan-2-yl)-3-(2-fluoroethyl)-1H-pyrimidine-2,4-dione;formamide
PubChem CID143790179
Molecular FormulaC13H20FN3O3
Molecular Weight285.32 g/mol
Exact Mass285.15
IUPAC Name6-(1-cyclopropylpropan-2-yl)-3-(2-fluoroethyl)-1H-pyrimidine-2,4-dione;formamide
SMILESCC(CC1CC1)c1cc(=O)n(CCF)c(=O)[nH]1.NC=O
InChIInChI=1S/C12H17FN2O2.CH3NO/c1-8(6-9-2-3-9)10-7-11(16)15(5-4-13)12(17)14-10;2-1-3/h7-9H,2-6H2,1H3,(H,14,17);1H,(H2,2,3)
InChIKeyJVXQZFHBEGTTFY-UHFFFAOYSA-N
XLogP0.51
TPSA97.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 6-(1-cyclopropylpropan-2-yl)-3-(2-fluoroethyl)-1H-pyrimidine-2,4-dione;formamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclopropylpropan-2-yl)-3-(2-fluoroethyl)-1H-pyrimidine-2,4-dione;formamide?
The IUPAC name of 6-(1-cyclopropylpropan-2-yl)-3-(2-fluoroethyl)-1H-pyrimidine-2,4-dione;formamide (CID 143790179) is 6-(1-cyclopropylpropan-2-yl)-3-(2-fluoroethyl)-1H-pyrimidine-2,4-dione;formamide.
What is the SMILES notation for 6-(1-cyclopropylpropan-2-yl)-3-(2-fluoroethyl)-1H-pyrimidine-2,4-dione;formamide?
The canonical SMILES for 6-(1-cyclopropylpropan-2-yl)-3-(2-fluoroethyl)-1H-pyrimidine-2,4-dione;formamide is CC(CC1CC1)c1cc(=O)n(CCF)c(=O)[nH]1.NC=O.
What is the InChIKey of 6-(1-cyclopropylpropan-2-yl)-3-(2-fluoroethyl)-1H-pyrimidine-2,4-dione;formamide?
The InChIKey is JVXQZFHBEGTTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2.CH3NO/c1-8(6-9-2-3-9)10-7-11(16)15(5-4-13)12(17)14-10;2-1-3/h7-9H,2-6H2,1H3,(H,14,17);1H,(H2,2,3).
What are the key properties of 6-(1-cyclopropylpropan-2-yl)-3-(2-fluoroethyl)-1H-pyrimidine-2,4-dione;formamide?
6-(1-cyclopropylpropan-2-yl)-3-(2-fluoroethyl)-1H-pyrimidine-2,4-dione;formamide has a molecular weight of 285.32 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-cyclopropylpropan-2-yl)-3-(2-fluoroethyl)-1H-pyrimidine-2,4-dione;formamide is sourced from PubChem (CID 143790179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).