5-fluoro-1H-pyrimidine-2,4-dione;hexa-2,4-dienamide

C10H12FN3O3 — CID 173137049

IUPAC5-fluoro-1H-pyrimidine-2,4-dione;hexa-2,4-dienamide
SMILESCC=CC=CC(N)=O.O=c1[nH]cc(F)c(=O)[nH]1
InChIInChI=1S/C6H9NO.C4H3FN2O2/c1-2-3-4-5-6(7)8;5-2-1-6-4(9)7-3(2)8/h2-5H,1H3,(H2,7,8);1H,(H2,6,7,8,9)
InChIKeyGICPYDSNHICPFA-UHFFFAOYSA-N
MW241.22 g/mol
LogP-0.19
Rot. Bonds2

About 5-fluoro-1H-pyrimidine-2,4-dione;hexa-2,4-dienamide

5-fluoro-1H-pyrimidine-2,4-dione;hexa-2,4-dienamide (PubChem CID 173137049) has the molecular formula C10H12FN3O3 and a molecular weight of 241.22 g/mol. Its IUPAC name is 5-fluoro-1H-pyrimidine-2,4-dione;hexa-2,4-dienamide.

Molecular Properties

Compound Name5-fluoro-1H-pyrimidine-2,4-dione;hexa-2,4-dienamide
PubChem CID173137049
Molecular FormulaC10H12FN3O3
Molecular Weight241.22 g/mol
Exact Mass241.09
IUPAC Name5-fluoro-1H-pyrimidine-2,4-dione;hexa-2,4-dienamide
SMILESCC=CC=CC(N)=O.O=c1[nH]cc(F)c(=O)[nH]1
InChIInChI=1S/C6H9NO.C4H3FN2O2/c1-2-3-4-5-6(7)8;5-2-1-6-4(9)7-3(2)8/h2-5H,1H3,(H2,7,8);1H,(H2,6,7,8,9)
InChIKeyGICPYDSNHICPFA-UHFFFAOYSA-N
XLogP-0.19
TPSA108.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

alumane;5-fluoro-1H-pyrimidine-2,4-dione;hydrate
CID 174923664
(2E,4E)-hexa-2,4-dienamide;phosphane
CID 175915492
5-fluoro-1H-pyrimidine-2,4-dione;furan
CID 67100299
5-fluoro-1H-pyrimidine-2,4-dione;oct-1-ene
CID 118491878
2-chloro-3-methyloxiran-2-ol;5-fluoro-1H-pyrimidine-2,4-dione
CID 174524151
ethyl 2-cyanoprop-2-enoate;5-fluoro-1H-pyrimidine-2,4-dione
CID 174679785
4-(dimethylaminodiazenyl)-1H-imidazole-5-carboxamide;5-fluoro-1H-pyrimidine-2,4-dione
CID 173010993
5-[(Z)-prop-1-enyl]-1H-pyrimidine-2,4-dione
CID 14914593
5-[(Z)-3-oxobut-1-enyl]-1H-pyrimidine-2,4-dione
CID 92527239
ethane;5-hydroxy-1H-pyrimidine-2,4-dione
CID 145004805
5-fluoro-1H-pyrimidine-2,4-dione;10H-phenoxazine
CID 159111962
3-methylocta-2,4,6-trienamide
CID 141023741

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1H-pyrimidine-2,4-dione;hexa-2,4-dienamide?
The IUPAC name of 5-fluoro-1H-pyrimidine-2,4-dione;hexa-2,4-dienamide (CID 173137049) is 5-fluoro-1H-pyrimidine-2,4-dione;hexa-2,4-dienamide.
What is the SMILES notation for 5-fluoro-1H-pyrimidine-2,4-dione;hexa-2,4-dienamide?
The canonical SMILES for 5-fluoro-1H-pyrimidine-2,4-dione;hexa-2,4-dienamide is CC=CC=CC(N)=O.O=c1[nH]cc(F)c(=O)[nH]1.
What is the InChIKey of 5-fluoro-1H-pyrimidine-2,4-dione;hexa-2,4-dienamide?
The InChIKey is GICPYDSNHICPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO.C4H3FN2O2/c1-2-3-4-5-6(7)8;5-2-1-6-4(9)7-3(2)8/h2-5H,1H3,(H2,7,8);1H,(H2,6,7,8,9).
What are the key properties of 5-fluoro-1H-pyrimidine-2,4-dione;hexa-2,4-dienamide?
5-fluoro-1H-pyrimidine-2,4-dione;hexa-2,4-dienamide has a molecular weight of 241.22 g/mol, XLogP of -0.19, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1H-pyrimidine-2,4-dione;hexa-2,4-dienamide is sourced from PubChem (CID 173137049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).