6-(1,1-difluorobut-3-enyl)-3-ethyl-1-prop-2-enylpyrimidine-2,4-dione

C13H16F2N2O2 — CID 11687646

IUPAC6-(1,1-difluorobut-3-enyl)-3-ethyl-1-prop-2-enylpyrimidine-2,4-dione
SMILESC=CCn1c(C(F)(F)CC=C)cc(=O)n(CC)c1=O
InChIInChI=1S/C13H16F2N2O2/c1-4-7-13(14,15)10-9-11(18)16(6-3)12(19)17(10)8-5-2/h4-5,9H,1-2,6-8H2,3H3
InChIKeyLNZWHWVCRXGYLK-UHFFFAOYSA-N
MW270.28 g/mol
LogP1.88
Rot. Bonds6

About 6-(1,1-difluorobut-3-enyl)-3-ethyl-1-prop-2-enylpyrimidine-2,4-dione

6-(1,1-difluorobut-3-enyl)-3-ethyl-1-prop-2-enylpyrimidine-2,4-dione (PubChem CID 11687646) has the molecular formula C13H16F2N2O2 and a molecular weight of 270.28 g/mol. Its IUPAC name is 6-(1,1-difluorobut-3-enyl)-3-ethyl-1-prop-2-enylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(1,1-difluorobut-3-enyl)-3-ethyl-1-prop-2-enylpyrimidine-2,4-dione
PubChem CID11687646
Molecular FormulaC13H16F2N2O2
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name6-(1,1-difluorobut-3-enyl)-3-ethyl-1-prop-2-enylpyrimidine-2,4-dione
SMILESC=CCn1c(C(F)(F)CC=C)cc(=O)n(CC)c1=O
InChIInChI=1S/C13H16F2N2O2/c1-4-7-13(14,15)10-9-11(18)16(6-3)12(19)17(10)8-5-2/h4-5,9H,1-2,6-8H2,3H3
InChIKeyLNZWHWVCRXGYLK-UHFFFAOYSA-N
XLogP1.88
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-(1,1-difluorobut-3-enyl)-3-ethyl-1-prop-2-enylpyrimidine-2,4-dione 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

6-(Heptafluoropropyl)-3methyluracil
CID 138756358
6-Butyl-1,3-dimethyluracil
CID 13897054
6-(3-amino-3-fluoropropyl)-3-propyl-1H-pyrimidine-2,4-dione
CID 67562026
3-[(3Z,5E)-5-chloro-2-methylidenehepta-3,5-dienyl]-1-methyl-6-[(2E,4Z)-6-(trifluoromethyl)hepta-2,4,6-trien-3-yl]pyrimidine-2,4-dione
CID 130182837
3-Methyl-1-propyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 137454044
(Z)-3-[2,2-difluoroethyl-[5-methyl-2,6-dioxo-1,3-bis(prop-2-enyl)pyrimidin-4-yl]amino]-2-methylhept-2-enal
CID 144019687
3-Hexyl-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 169649164
6-[2-(3-Fluoroazetidin-1-yl)ethyl]-1-methyl-3-propan-2-ylpyrimidine-2,4-dione
CID 170587535
1,3-Dimethyl-6-propylpyrimidine-2,4(1H,3H)-dione
CID 15277330
6-Ethyl-5-fluoro-1,3-dipropylpyrimidine-2,4-dione
CID 10966697
2-Ethyl-5,5-difluoro-6,9-dihydropyrimido[1,6-a]azepine-1,3-dione
CID 11514253
3-ethyl-9,9-difluoro-5,8-dihydro-1H-cyclohepta[d]pyrimidine-2,4-dione
CID 11550487

Frequently Asked Questions

What is the IUPAC name of 6-(1,1-difluorobut-3-enyl)-3-ethyl-1-prop-2-enylpyrimidine-2,4-dione?
The IUPAC name of 6-(1,1-difluorobut-3-enyl)-3-ethyl-1-prop-2-enylpyrimidine-2,4-dione (CID 11687646) is 6-(1,1-difluorobut-3-enyl)-3-ethyl-1-prop-2-enylpyrimidine-2,4-dione.
What is the SMILES notation for 6-(1,1-difluorobut-3-enyl)-3-ethyl-1-prop-2-enylpyrimidine-2,4-dione?
The canonical SMILES for 6-(1,1-difluorobut-3-enyl)-3-ethyl-1-prop-2-enylpyrimidine-2,4-dione is C=CCn1c(C(F)(F)CC=C)cc(=O)n(CC)c1=O.
What is the InChIKey of 6-(1,1-difluorobut-3-enyl)-3-ethyl-1-prop-2-enylpyrimidine-2,4-dione?
The InChIKey is LNZWHWVCRXGYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O2/c1-4-7-13(14,15)10-9-11(18)16(6-3)12(19)17(10)8-5-2/h4-5,9H,1-2,6-8H2,3H3.
What are the key properties of 6-(1,1-difluorobut-3-enyl)-3-ethyl-1-prop-2-enylpyrimidine-2,4-dione?
6-(1,1-difluorobut-3-enyl)-3-ethyl-1-prop-2-enylpyrimidine-2,4-dione has a molecular weight of 270.28 g/mol, XLogP of 1.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-difluorobut-3-enyl)-3-ethyl-1-prop-2-enylpyrimidine-2,4-dione is sourced from PubChem (CID 11687646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).