4-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)-N-sulfanylbutanamide

C8H10FN3O3S — CID 58844112

IUPAC4-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)-N-sulfanylbutanamide
SMILESO=C(CCCn1c(=O)[nH]cc(F)c1=O)NS
InChIInChI=1S/C8H10FN3O3S/c9-5-4-10-8(15)12(7(5)14)3-1-2-6(13)11-16/h4,16H,1-3H2,(H,10,15)(H,11,13)
InChIKeyWDRPDYQEFYBPBQ-UHFFFAOYSA-N
MW247.25 g/mol
LogP-0.58
Rot. Bonds4

About 4-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)-N-sulfanylbutanamide

4-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)-N-sulfanylbutanamide (PubChem CID 58844112) has the molecular formula C8H10FN3O3S and a molecular weight of 247.25 g/mol. Its IUPAC name is 4-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)-N-sulfanylbutanamide.

Molecular Properties

Compound Name4-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)-N-sulfanylbutanamide
PubChem CID58844112
Molecular FormulaC8H10FN3O3S
Molecular Weight247.25 g/mol
Exact Mass247.04
IUPAC Name4-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)-N-sulfanylbutanamide
SMILESO=C(CCCn1c(=O)[nH]cc(F)c1=O)NS
InChIInChI=1S/C8H10FN3O3S/c9-5-4-10-8(15)12(7(5)14)3-1-2-6(13)11-16/h4,16H,1-3H2,(H,10,15)(H,11,13)
InChIKeyWDRPDYQEFYBPBQ-UHFFFAOYSA-N
XLogP-0.58
TPSA83.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 4-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)-N-sulfanylbutanamide with MolForge

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Related Compounds

N(1)-(2-formylethyl)-5-fluorouracil
CID 92003
1(2H)-Pyrimidinecarboxamide, 5-fluoro-3,4-dihydro-2,4-dioxo-N-propyl-
CID 149039
1-Butylcarbamoyl-5-fluorouracil
CID 116542
1(2H)-Pyrimidinecarboxamide, 5-fluoro-3,4-dihydro-2,4-dioxo-N-pentyl-
CID 152038
1-Butyl-5-fluorouracil
CID 13061632
1-(3-Aminopropyl)-5-fluoro-pyrimidine-2,4(1h,3h)-dione
CID 13459937
3-Butanoyl-5-fluoropyrimidine-2,4(1H,3H)-dione
CID 23273888
1-Butanoyl-5-fluoropyrimidine-2,4-dione
CID 12783670
3-Butyl-5-fluoropyrimidine-2,4(1H,3H)-dione
CID 13171217
5-fluoro-3-propyl-1H-pyrimidine-2,4-dione
CID 14118339
N-(5-aminopentyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
CID 14182375
5-fluoro-3-pentyl-1H-pyrimidine-2,4-dione
CID 15579801

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)-N-sulfanylbutanamide?
The IUPAC name of 4-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)-N-sulfanylbutanamide (CID 58844112) is 4-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)-N-sulfanylbutanamide.
What is the SMILES notation for 4-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)-N-sulfanylbutanamide?
The canonical SMILES for 4-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)-N-sulfanylbutanamide is O=C(CCCn1c(=O)[nH]cc(F)c1=O)NS.
What is the InChIKey of 4-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)-N-sulfanylbutanamide?
The InChIKey is WDRPDYQEFYBPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3O3S/c9-5-4-10-8(15)12(7(5)14)3-1-2-6(13)11-16/h4,16H,1-3H2,(H,10,15)(H,11,13).
What are the key properties of 4-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)-N-sulfanylbutanamide?
4-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)-N-sulfanylbutanamide has a molecular weight of 247.25 g/mol, XLogP of -0.58, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)-N-sulfanylbutanamide is sourced from PubChem (CID 58844112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).