6-fluoro-5-methyl-3-[(3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]-1H-pyrimidine-2,4-dione

C10H13FN2O6 — CID 140532598

IUPAC6-fluoro-5-methyl-3-[(3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]-1H-pyrimidine-2,4-dione
SMILESCc1c(F)[nH]c(=O)n(C2OC[C@@H](O)[C@@H](O)[C@@H]2O)c1=O
InChIInChI=1S/C10H13FN2O6/c1-3-7(11)12-10(18)13(8(3)17)9-6(16)5(15)4(14)2-19-9/h4-6,9,14-16H,2H2,1H3,(H,12,18)/t4-,5-,6+,9?/m1/s1
InChIKeyDOFKRBOLQUBNJZ-ZBLRDTDUSA-N
MW276.22 g/mol
LogP-2.40
Rot. Bonds1

About 6-fluoro-5-methyl-3-[(3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]-1H-pyrimidine-2,4-dione

6-fluoro-5-methyl-3-[(3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]-1H-pyrimidine-2,4-dione (PubChem CID 140532598) has the molecular formula C10H13FN2O6 and a molecular weight of 276.22 g/mol. Its IUPAC name is 6-fluoro-5-methyl-3-[(3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-fluoro-5-methyl-3-[(3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]-1H-pyrimidine-2,4-dione
PubChem CID140532598
Molecular FormulaC10H13FN2O6
Molecular Weight276.22 g/mol
Exact Mass276.08
IUPAC Name6-fluoro-5-methyl-3-[(3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]-1H-pyrimidine-2,4-dione
SMILESCc1c(F)[nH]c(=O)n(C2OC[C@@H](O)[C@@H](O)[C@@H]2O)c1=O
InChIInChI=1S/C10H13FN2O6/c1-3-7(11)12-10(18)13(8(3)17)9-6(16)5(15)4(14)2-19-9/h4-6,9,14-16H,2H2,1H3,(H,12,18)/t4-,5-,6+,9?/m1/s1
InChIKeyDOFKRBOLQUBNJZ-ZBLRDTDUSA-N
XLogP-2.40
TPSA124.78 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 5-2.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 6-fluoro-5-methyl-3-[(3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]-1H-pyrimidine-2,4-dione with MolForge

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Related Compounds

9-(3,4-dihydroxyoxolan-2-yl)-8-fluoro-2-methyl-1H-purin-6-one
CID 141446003
5-fluoro-1-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]pyrimidine-2,4-dione
CID 26501923
3-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-1H-pyrimidine-2,4-dione
CID 177077743
3-[(2R,3R,4R)-3,4-dihydroxyoxolan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
CID 101378852
1-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 12068040
8-bromo-9-(3,4-dihydroxyoxolan-2-yl)-2-methyl-1H-purin-6-one
CID 141446008
1-[(3aR,6S,7S,7aS)-7-hydroxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]-5-fluoropyrimidine-2,4-dione
CID 52916335
1-[(3R,3aR,5S,6R,6aR)-3,6-dihydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl]-5-methylpyrimidine-2,4-dione
CID 10869335
1-[(2R,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]-1,2,4-triazinane-3,5-dione
CID 10610478
1-[(2R,3R,4R)-3-amino-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 139122475
13-methyl-3-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione
CID 10600476
(2R,3R,4R,5R)-2-(2-bromo-5-chloro-6-methylbenzimidazol-1-yl)oxane-3,4,5-triol
CID 54429635

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-methyl-3-[(3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-fluoro-5-methyl-3-[(3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]-1H-pyrimidine-2,4-dione (CID 140532598) is 6-fluoro-5-methyl-3-[(3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-fluoro-5-methyl-3-[(3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-fluoro-5-methyl-3-[(3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]-1H-pyrimidine-2,4-dione is Cc1c(F)[nH]c(=O)n(C2OC[C@@H](O)[C@@H](O)[C@@H]2O)c1=O.
What is the InChIKey of 6-fluoro-5-methyl-3-[(3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is DOFKRBOLQUBNJZ-ZBLRDTDUSA-N. The full InChI is InChI=1S/C10H13FN2O6/c1-3-7(11)12-10(18)13(8(3)17)9-6(16)5(15)4(14)2-19-9/h4-6,9,14-16H,2H2,1H3,(H,12,18)/t4-,5-,6+,9?/m1/s1.
What are the key properties of 6-fluoro-5-methyl-3-[(3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]-1H-pyrimidine-2,4-dione?
6-fluoro-5-methyl-3-[(3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 276.22 g/mol, XLogP of -2.40, 1 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-methyl-3-[(3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 140532598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).