5-fluoro-1-[(2S)-oxolan-2-yl]pyrimidine-2,4-dione;pyridine-4-carboxamide

C14H15FN4O4 — CID 139147758

IUPAC5-fluoro-1-[(2S)-oxolan-2-yl]pyrimidine-2,4-dione;pyridine-4-carboxamide
SMILESNC(=O)c1ccncc1.O=c1[nH]c(=O)n([C@@H]2CCCO2)cc1F
InChIInChI=1S/C8H9FN2O3.C6H6N2O/c9-5-4-11(6-2-1-3-14-6)8(13)10-7(5)12;7-6(9)5-1-3-8-4-2-5/h4,6H,1-3H2,(H,10,12,13);1-4H,(H2,7,9)/t6-;/m0./s1
InChIKeyJXDBDZSLAULZSL-RGMNGODLSA-N
MW322.30 g/mol
LogP0.17
Rot. Bonds2

About 5-fluoro-1-[(2S)-oxolan-2-yl]pyrimidine-2,4-dione;pyridine-4-carboxamide

5-fluoro-1-[(2S)-oxolan-2-yl]pyrimidine-2,4-dione;pyridine-4-carboxamide (PubChem CID 139147758) has the molecular formula C14H15FN4O4 and a molecular weight of 322.30 g/mol. Its IUPAC name is 5-fluoro-1-[(2S)-oxolan-2-yl]pyrimidine-2,4-dione;pyridine-4-carboxamide.

Molecular Properties

Compound Name5-fluoro-1-[(2S)-oxolan-2-yl]pyrimidine-2,4-dione;pyridine-4-carboxamide
PubChem CID139147758
Molecular FormulaC14H15FN4O4
Molecular Weight322.30 g/mol
Exact Mass322.11
IUPAC Name5-fluoro-1-[(2S)-oxolan-2-yl]pyrimidine-2,4-dione;pyridine-4-carboxamide
SMILESNC(=O)c1ccncc1.O=c1[nH]c(=O)n([C@@H]2CCCO2)cc1F
InChIInChI=1S/C8H9FN2O3.C6H6N2O/c9-5-4-11(6-2-1-3-14-6)8(13)10-7(5)12;7-6(9)5-1-3-8-4-2-5/h4,6H,1-3H2,(H,10,12,13);1-4H,(H2,7,9)/t6-;/m0./s1
InChIKeyJXDBDZSLAULZSL-RGMNGODLSA-N
XLogP0.17
TPSA120.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.30
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[(2S)-oxolan-2-yl]pyrimidine-2,4-dione;pyridine-4-carboxamide?
The IUPAC name of 5-fluoro-1-[(2S)-oxolan-2-yl]pyrimidine-2,4-dione;pyridine-4-carboxamide (CID 139147758) is 5-fluoro-1-[(2S)-oxolan-2-yl]pyrimidine-2,4-dione;pyridine-4-carboxamide.
What is the SMILES notation for 5-fluoro-1-[(2S)-oxolan-2-yl]pyrimidine-2,4-dione;pyridine-4-carboxamide?
The canonical SMILES for 5-fluoro-1-[(2S)-oxolan-2-yl]pyrimidine-2,4-dione;pyridine-4-carboxamide is NC(=O)c1ccncc1.O=c1[nH]c(=O)n([C@@H]2CCCO2)cc1F.
What is the InChIKey of 5-fluoro-1-[(2S)-oxolan-2-yl]pyrimidine-2,4-dione;pyridine-4-carboxamide?
The InChIKey is JXDBDZSLAULZSL-RGMNGODLSA-N. The full InChI is InChI=1S/C8H9FN2O3.C6H6N2O/c9-5-4-11(6-2-1-3-14-6)8(13)10-7(5)12;7-6(9)5-1-3-8-4-2-5/h4,6H,1-3H2,(H,10,12,13);1-4H,(H2,7,9)/t6-;/m0./s1.
What are the key properties of 5-fluoro-1-[(2S)-oxolan-2-yl]pyrimidine-2,4-dione;pyridine-4-carboxamide?
5-fluoro-1-[(2S)-oxolan-2-yl]pyrimidine-2,4-dione;pyridine-4-carboxamide has a molecular weight of 322.30 g/mol, XLogP of 0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[(2S)-oxolan-2-yl]pyrimidine-2,4-dione;pyridine-4-carboxamide is sourced from PubChem (CID 139147758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).