5-fluoro-2,4-dioxo-N-(thiophen-2-ylmethyl)pyrimidine-1-carboxamide

C10H8FN3O3S — CID 20525063

IUPAC5-fluoro-2,4-dioxo-N-(thiophen-2-ylmethyl)pyrimidine-1-carboxamide
SMILESO=C(NCc1cccs1)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C10H8FN3O3S/c11-7-5-14(10(17)13-8(7)15)9(16)12-4-6-2-1-3-18-6/h1-3,5H,4H2,(H,12,16)(H,13,15,17)
InChIKeyBRHARWXPFZHHED-UHFFFAOYSA-N
MW269.26 g/mol
LogP0.50
Rot. Bonds2

About 5-fluoro-2,4-dioxo-N-(thiophen-2-ylmethyl)pyrimidine-1-carboxamide

5-fluoro-2,4-dioxo-N-(thiophen-2-ylmethyl)pyrimidine-1-carboxamide (PubChem CID 20525063) has the molecular formula C10H8FN3O3S and a molecular weight of 269.26 g/mol. Its IUPAC name is 5-fluoro-2,4-dioxo-N-(thiophen-2-ylmethyl)pyrimidine-1-carboxamide.

Molecular Properties

Compound Name5-fluoro-2,4-dioxo-N-(thiophen-2-ylmethyl)pyrimidine-1-carboxamide
PubChem CID20525063
Molecular FormulaC10H8FN3O3S
Molecular Weight269.26 g/mol
Exact Mass269.03
IUPAC Name5-fluoro-2,4-dioxo-N-(thiophen-2-ylmethyl)pyrimidine-1-carboxamide
SMILESO=C(NCc1cccs1)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C10H8FN3O3S/c11-7-5-14(10(17)13-8(7)15)9(16)12-4-6-2-1-3-18-6/h1-3,5H,4H2,(H,12,16)(H,13,15,17)
InChIKeyBRHARWXPFZHHED-UHFFFAOYSA-N
XLogP0.50
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-2,4-dioxo-N-(thiophen-2-ylmethyl)pyrimidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Thiophen-2-ylmethyl-pyrimidine-2,4,6-trione
CID 650254
6-((2-(thiophen-2-yl)ethyl)amino)pyrimidine-2,4(1H,3H)-dione
CID 121205397
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)thiophene-2-carboxamide
CID 903488
3-(2-Chloroacetyl)-1-[(thiophen-2-yl)methyl]urea
CID 7131305
1,3-dimethyl-2,4-dioxo-N-(thiophen-2-ylmethyl)pyrimidine-5-sulfonamide
CID 5310176
3-[(p-fluorophenyl)methyl]-6-thenylamino-2,4(1H,3H)-pyrimidinedione
CID 6619689
1,3-Dimethyl-1-[(thiophen-2-YL)methyl]urea
CID 53016462
2-(2-thienyl)-1,3-bis(trifluoroacetyl)-2,3-dihydro-1H-imidazole
CID 827456
5-fluoro-3-(thiophene-2-carbonyl)-1H-pyrimidine-2,4-dione
CID 139207406
6-oxo-N-(thiophen-2-ylmethyl)-1,6-dihydropyridine-3-carboxamide
CID 2107963
ethyl N-[3-methyl-2,4-dioxo-1-(thiophen-2-ylmethyl)pyrimidine-5-carbonyl]carbamate
CID 2821959
N,1,3-trimethyl-2,4-dioxo-N-(thiophen-2-ylmethyl)pyrimidine-5-sulfonamide
CID 8160466

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2,4-dioxo-N-(thiophen-2-ylmethyl)pyrimidine-1-carboxamide?
The IUPAC name of 5-fluoro-2,4-dioxo-N-(thiophen-2-ylmethyl)pyrimidine-1-carboxamide (CID 20525063) is 5-fluoro-2,4-dioxo-N-(thiophen-2-ylmethyl)pyrimidine-1-carboxamide.
What is the SMILES notation for 5-fluoro-2,4-dioxo-N-(thiophen-2-ylmethyl)pyrimidine-1-carboxamide?
The canonical SMILES for 5-fluoro-2,4-dioxo-N-(thiophen-2-ylmethyl)pyrimidine-1-carboxamide is O=C(NCc1cccs1)n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 5-fluoro-2,4-dioxo-N-(thiophen-2-ylmethyl)pyrimidine-1-carboxamide?
The InChIKey is BRHARWXPFZHHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O3S/c11-7-5-14(10(17)13-8(7)15)9(16)12-4-6-2-1-3-18-6/h1-3,5H,4H2,(H,12,16)(H,13,15,17).
What are the key properties of 5-fluoro-2,4-dioxo-N-(thiophen-2-ylmethyl)pyrimidine-1-carboxamide?
5-fluoro-2,4-dioxo-N-(thiophen-2-ylmethyl)pyrimidine-1-carboxamide has a molecular weight of 269.26 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,4-dioxo-N-(thiophen-2-ylmethyl)pyrimidine-1-carboxamide is sourced from PubChem (CID 20525063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).