5-fluoro-N-(2-hydroxypropyl)-2,4-dioxopyrimidine-1-carboxamide

C8H10FN3O4 — CID 70630500

IUPAC5-fluoro-N-(2-hydroxypropyl)-2,4-dioxopyrimidine-1-carboxamide
SMILESCC(O)CNC(=O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C8H10FN3O4/c1-4(13)2-10-7(15)12-3-5(9)6(14)11-8(12)16/h3-4,13H,2H2,1H3,(H,10,15)(H,11,14,16)
InChIKeyCAQYUOOXAKVZNO-UHFFFAOYSA-N
MW231.18 g/mol
LogP-1.39
Rot. Bonds2

About 5-fluoro-N-(2-hydroxypropyl)-2,4-dioxopyrimidine-1-carboxamide

5-fluoro-N-(2-hydroxypropyl)-2,4-dioxopyrimidine-1-carboxamide (PubChem CID 70630500) has the molecular formula C8H10FN3O4 and a molecular weight of 231.18 g/mol. Its IUPAC name is 5-fluoro-N-(2-hydroxypropyl)-2,4-dioxopyrimidine-1-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-(2-hydroxypropyl)-2,4-dioxopyrimidine-1-carboxamide
PubChem CID70630500
Molecular FormulaC8H10FN3O4
Molecular Weight231.18 g/mol
Exact Mass231.07
IUPAC Name5-fluoro-N-(2-hydroxypropyl)-2,4-dioxopyrimidine-1-carboxamide
SMILESCC(O)CNC(=O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C8H10FN3O4/c1-4(13)2-10-7(15)12-3-5(9)6(14)11-8(12)16/h3-4,13H,2H2,1H3,(H,10,15)(H,11,14,16)
InChIKeyCAQYUOOXAKVZNO-UHFFFAOYSA-N
XLogP-1.39
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.18
LogP ≤ 5-1.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Acetamide, 2-(5-fluoro-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-N-(2-hydroxyethyl)-
CID 3150928
AC1Nrld4
CID 5242907
3-(2-Hydroxy-ethyl)-5-fluorouracil
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1-(3-Bromo-2-hydroxypropyl)-5-fluoropyrimidine-2,4-dione
CID 3722359
1-(3-Fluoro-2-hydroxypropyl)pyrimidine-2,4-dione
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1-(3-Fluoro-2-hydroxypropyl)-5-methylpyrimidine-2,4-dione
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1-(2,3-Dihydroxypropyl)-5-fluoro-1,3-dihydropyrimidine-2,4-dione
CID 4990423
1-(2,3-Dihydroxy-1-methoxypropyl)-5-fluoropyrimidine-2,4-dione
CID 12802671
5-Fluoro-1-(3-hydroxy-1-methoxypropyl)pyrimidine-2,4-dione
CID 12802673
1-[N-(2-ethoxyethyl)carbamoyl]-5-fluorouracil
CID 20525034
5-Fluoro-1-(2,2,3-trihydroxybutyl)pyrimidine-2,4-dione
CID 69343988
5-fluoro-1-[(1R,2S)-2-hydroxy-1-[(2R)-1-hydroxypropan-2-yl]oxypropyl]pyrimidine-2,4-dione
CID 89970482

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(2-hydroxypropyl)-2,4-dioxopyrimidine-1-carboxamide?
The IUPAC name of 5-fluoro-N-(2-hydroxypropyl)-2,4-dioxopyrimidine-1-carboxamide (CID 70630500) is 5-fluoro-N-(2-hydroxypropyl)-2,4-dioxopyrimidine-1-carboxamide.
What is the SMILES notation for 5-fluoro-N-(2-hydroxypropyl)-2,4-dioxopyrimidine-1-carboxamide?
The canonical SMILES for 5-fluoro-N-(2-hydroxypropyl)-2,4-dioxopyrimidine-1-carboxamide is CC(O)CNC(=O)n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 5-fluoro-N-(2-hydroxypropyl)-2,4-dioxopyrimidine-1-carboxamide?
The InChIKey is CAQYUOOXAKVZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3O4/c1-4(13)2-10-7(15)12-3-5(9)6(14)11-8(12)16/h3-4,13H,2H2,1H3,(H,10,15)(H,11,14,16).
What are the key properties of 5-fluoro-N-(2-hydroxypropyl)-2,4-dioxopyrimidine-1-carboxamide?
5-fluoro-N-(2-hydroxypropyl)-2,4-dioxopyrimidine-1-carboxamide has a molecular weight of 231.18 g/mol, XLogP of -1.39, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(2-hydroxypropyl)-2,4-dioxopyrimidine-1-carboxamide is sourced from PubChem (CID 70630500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).