6-(1,1-difluorobut-3-enyl)-3-(4-methoxyphenyl)-1H-pyrimidine-2,4-dione

C15H14F2N2O3 — CID 11522411

IUPAC6-(1,1-difluorobut-3-enyl)-3-(4-methoxyphenyl)-1H-pyrimidine-2,4-dione
SMILESC=CCC(F)(F)c1cc(=O)n(-c2ccc(OC)cc2)c(=O)[nH]1
InChIInChI=1S/C15H14F2N2O3/c1-3-8-15(16,17)12-9-13(20)19(14(21)18-12)10-4-6-11(22-2)7-5-10/h3-7,9H,1,8H2,2H3,(H,18,21)
InChIKeyPVRUBQHDTJXBOP-UHFFFAOYSA-N
MW308.28 g/mol
LogP2.20
Rot. Bonds5

About 6-(1,1-difluorobut-3-enyl)-3-(4-methoxyphenyl)-1H-pyrimidine-2,4-dione

6-(1,1-difluorobut-3-enyl)-3-(4-methoxyphenyl)-1H-pyrimidine-2,4-dione (PubChem CID 11522411) has the molecular formula C15H14F2N2O3 and a molecular weight of 308.28 g/mol. Its IUPAC name is 6-(1,1-difluorobut-3-enyl)-3-(4-methoxyphenyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(1,1-difluorobut-3-enyl)-3-(4-methoxyphenyl)-1H-pyrimidine-2,4-dione
PubChem CID11522411
Molecular FormulaC15H14F2N2O3
Molecular Weight308.28 g/mol
Exact Mass308.10
IUPAC Name6-(1,1-difluorobut-3-enyl)-3-(4-methoxyphenyl)-1H-pyrimidine-2,4-dione
SMILESC=CCC(F)(F)c1cc(=O)n(-c2ccc(OC)cc2)c(=O)[nH]1
InChIInChI=1S/C15H14F2N2O3/c1-3-8-15(16,17)12-9-13(20)19(14(21)18-12)10-4-6-11(22-2)7-5-10/h3-7,9H,1,8H2,2H3,(H,18,21)
InChIKeyPVRUBQHDTJXBOP-UHFFFAOYSA-N
XLogP2.20
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.28
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 10968150
1-(4-methoxyphenyl)-6-methylpyrimidine-2,4-dione
CID 6457804
7-methoxy-3-(4-methoxyphenyl)-1H-quinazoline-2,4-dione
CID 117261702
3-(3,5-dichloro-4-methoxyphenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 134115598
3-(4-iodo-3,5-dimethoxyphenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 134115870
5-fluoro-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
CID 112598223
4-(4-methoxyphenyl)-2-prop-2-enyl-1,2,4-oxadiazolidine-3,5-dione
CID 3620753
methyl 1-[3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidin-6-yl]piperidine-4-carboxylate
CID 5310573
5,7-dimethoxy-3-(4-methoxyphenyl)-1H-quinazoline-2,4-dione
CID 11580706
1-(4-methoxyphenyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-one
CID 44821229
5-methoxy-3-(4-methoxyphenyl)-1H-quinazoline-2,4-dione
CID 117261150
4-hydroxy-3-(4-methoxyphenyl)-5-(2-methylsulfanylethyl)-1H-imidazol-2-one
CID 54324951

Frequently Asked Questions

What is the IUPAC name of 6-(1,1-difluorobut-3-enyl)-3-(4-methoxyphenyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(1,1-difluorobut-3-enyl)-3-(4-methoxyphenyl)-1H-pyrimidine-2,4-dione (CID 11522411) is 6-(1,1-difluorobut-3-enyl)-3-(4-methoxyphenyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(1,1-difluorobut-3-enyl)-3-(4-methoxyphenyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(1,1-difluorobut-3-enyl)-3-(4-methoxyphenyl)-1H-pyrimidine-2,4-dione is C=CCC(F)(F)c1cc(=O)n(-c2ccc(OC)cc2)c(=O)[nH]1.
What is the InChIKey of 6-(1,1-difluorobut-3-enyl)-3-(4-methoxyphenyl)-1H-pyrimidine-2,4-dione?
The InChIKey is PVRUBQHDTJXBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O3/c1-3-8-15(16,17)12-9-13(20)19(14(21)18-12)10-4-6-11(22-2)7-5-10/h3-7,9H,1,8H2,2H3,(H,18,21).
What are the key properties of 6-(1,1-difluorobut-3-enyl)-3-(4-methoxyphenyl)-1H-pyrimidine-2,4-dione?
6-(1,1-difluorobut-3-enyl)-3-(4-methoxyphenyl)-1H-pyrimidine-2,4-dione has a molecular weight of 308.28 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-difluorobut-3-enyl)-3-(4-methoxyphenyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 11522411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).