5-fluoro-3-[3-(2-methylimidazol-1-yl)propanoyl]-1H-pyrimidine-2,4-dione

C11H11FN4O3 — CID 129156045

IUPAC5-fluoro-3-[3-(2-methylimidazol-1-yl)propanoyl]-1H-pyrimidine-2,4-dione
SMILESCc1nccn1CCC(=O)n1c(=O)[nH]cc(F)c1=O
InChIInChI=1S/C11H11FN4O3/c1-7-13-3-5-15(7)4-2-9(17)16-10(18)8(12)6-14-11(16)19/h3,5-6H,2,4H2,1H3,(H,14,19)
InChIKeyRFIDBMCCHIJGQR-UHFFFAOYSA-N
MW266.23 g/mol
LogP-0.09
Rot. Bonds3

About 5-fluoro-3-[3-(2-methylimidazol-1-yl)propanoyl]-1H-pyrimidine-2,4-dione

5-fluoro-3-[3-(2-methylimidazol-1-yl)propanoyl]-1H-pyrimidine-2,4-dione (PubChem CID 129156045) has the molecular formula C11H11FN4O3 and a molecular weight of 266.23 g/mol. Its IUPAC name is 5-fluoro-3-[3-(2-methylimidazol-1-yl)propanoyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-3-[3-(2-methylimidazol-1-yl)propanoyl]-1H-pyrimidine-2,4-dione
PubChem CID129156045
Molecular FormulaC11H11FN4O3
Molecular Weight266.23 g/mol
Exact Mass266.08
IUPAC Name5-fluoro-3-[3-(2-methylimidazol-1-yl)propanoyl]-1H-pyrimidine-2,4-dione
SMILESCc1nccn1CCC(=O)n1c(=O)[nH]cc(F)c1=O
InChIInChI=1S/C11H11FN4O3/c1-7-13-3-5-15(7)4-2-9(17)16-10(18)8(12)6-14-11(16)19/h3,5-6H,2,4H2,1H3,(H,14,19)
InChIKeyRFIDBMCCHIJGQR-UHFFFAOYSA-N
XLogP-0.09
TPSA89.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.23
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-Fluoro-6-[(2-aminoimidazol-1-yl)methyl]uracil
CID 44632008
(5E)-1-butyl-5-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
CID 5129107
5-fluoro-6-(imidazol-1-ylmethyl)-1H-pyrimidine-2,4-dione
CID 46880481
2,6-diamino-5-(1H-imidazol-1-ylmethyl)-4-pyrimidinol
CID 135403641
5-(1H-imidazol-2-yl)-1H-pyrimidine-2,4-dione
CID 314509
5-hydroxy-N-isopropyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]pyrazine-2-carboxamide
CID 56720597
N-(3-(1H-imidazol-1-yl)propyl)-2-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamide
CID 45280798
N-[3-(1H-Imidazol-1-yl)propyl]prop-2-enamide
CID 43616372
3-(2-methylimidazol-1-yl)-N-propylpropanamide
CID 53790809
N~3~-[(1-ethyl-1H-imidazol-2-yl)methyl]-N~1~-isopropyl-N~3~-methyl-beta-alaninamide
CID 91837682
5-fluoro-3-[3-(2-nitroimidazol-1-yl)propanoyl]-1H-pyrimidine-2,4-dione
CID 117785389
5-Fluoro-1-[3-(2-nitroimidazol-1-yl)propanoyl]pyrimidine-2,4-dione
CID 117785390

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[3-(2-methylimidazol-1-yl)propanoyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-3-[3-(2-methylimidazol-1-yl)propanoyl]-1H-pyrimidine-2,4-dione (CID 129156045) is 5-fluoro-3-[3-(2-methylimidazol-1-yl)propanoyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-3-[3-(2-methylimidazol-1-yl)propanoyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-3-[3-(2-methylimidazol-1-yl)propanoyl]-1H-pyrimidine-2,4-dione is Cc1nccn1CCC(=O)n1c(=O)[nH]cc(F)c1=O.
What is the InChIKey of 5-fluoro-3-[3-(2-methylimidazol-1-yl)propanoyl]-1H-pyrimidine-2,4-dione?
The InChIKey is RFIDBMCCHIJGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O3/c1-7-13-3-5-15(7)4-2-9(17)16-10(18)8(12)6-14-11(16)19/h3,5-6H,2,4H2,1H3,(H,14,19).
What are the key properties of 5-fluoro-3-[3-(2-methylimidazol-1-yl)propanoyl]-1H-pyrimidine-2,4-dione?
5-fluoro-3-[3-(2-methylimidazol-1-yl)propanoyl]-1H-pyrimidine-2,4-dione has a molecular weight of 266.23 g/mol, XLogP of -0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[3-(2-methylimidazol-1-yl)propanoyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 129156045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).