5-fluoro-1,3-bis(prop-2-enyl)pyrimidine-2,4-dione

C10H11FN2O2 — CID 698957

IUPAC5-fluoro-1,3-bis(prop-2-enyl)pyrimidine-2,4-dione
SMILESC=CCn1cc(F)c(=O)n(CC=C)c1=O
InChIInChI=1S/C10H11FN2O2/c1-3-5-12-7-8(11)9(14)13(6-4-2)10(12)15/h3-4,7H,1-2,5-6H2
InChIKeyHUHNGVYFDANKTL-UHFFFAOYSA-N
MW210.21 g/mol
LogP0.52
Rot. Bonds4

About 5-fluoro-1,3-bis(prop-2-enyl)pyrimidine-2,4-dione

5-fluoro-1,3-bis(prop-2-enyl)pyrimidine-2,4-dione (PubChem CID 698957) has the molecular formula C10H11FN2O2 and a molecular weight of 210.21 g/mol. Its IUPAC name is 5-fluoro-1,3-bis(prop-2-enyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1,3-bis(prop-2-enyl)pyrimidine-2,4-dione
PubChem CID698957
Molecular FormulaC10H11FN2O2
Molecular Weight210.21 g/mol
Exact Mass210.08
IUPAC Name5-fluoro-1,3-bis(prop-2-enyl)pyrimidine-2,4-dione
SMILESC=CCn1cc(F)c(=O)n(CC=C)c1=O
InChIInChI=1S/C10H11FN2O2/c1-3-5-12-7-8(11)9(14)13(6-4-2)10(12)15/h3-4,7H,1-2,5-6H2
InChIKeyHUHNGVYFDANKTL-UHFFFAOYSA-N
XLogP0.52
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,3-Dimethyluracil
CID 70122
Aminometradine
CID 12551
5-Fluoro-1,3-dimethyluracil
CID 342609
N(1),N(3)-Diallyluracil
CID 165554
N(1),N(3)-Diallylthymine
CID 748590
1-Allyl-5-fluorouracil
CID 342611
Uracil, 1-allyl-6-amino-3-ethyl-mixed with 3-allyl-6-amino-1-ethyluracil (4:1)
CID 3055395
1,3-diallyl-5-chloro-2,4(1H,3H)-pyrimidinedione
CID 3237181
1-Allyl-5-fluoro-3-isobutyl-2,4(1H,3H)-pyrimidinedione
CID 598584
1,3-Diacetyl-5-fluoropyrimidine-2,4(1H,3H)-dione
CID 10262657
1,3-Diethenyl-5-fluoropyrimidine-2,4(1H,3H)-dione
CID 13700369
5-fluoro-1,3-diisobutyl-2,4(1H,3H)-pyrimidinedione
CID 748595

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1,3-bis(prop-2-enyl)pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1,3-bis(prop-2-enyl)pyrimidine-2,4-dione (CID 698957) is 5-fluoro-1,3-bis(prop-2-enyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1,3-bis(prop-2-enyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1,3-bis(prop-2-enyl)pyrimidine-2,4-dione is C=CCn1cc(F)c(=O)n(CC=C)c1=O.
What is the InChIKey of 5-fluoro-1,3-bis(prop-2-enyl)pyrimidine-2,4-dione?
The InChIKey is HUHNGVYFDANKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O2/c1-3-5-12-7-8(11)9(14)13(6-4-2)10(12)15/h3-4,7H,1-2,5-6H2.
What are the key properties of 5-fluoro-1,3-bis(prop-2-enyl)pyrimidine-2,4-dione?
5-fluoro-1,3-bis(prop-2-enyl)pyrimidine-2,4-dione has a molecular weight of 210.21 g/mol, XLogP of 0.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1,3-bis(prop-2-enyl)pyrimidine-2,4-dione is sourced from PubChem (CID 698957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).