N-(3-fluorophenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide

C15H16FN3O3S — CID 135558611

IUPACN-(3-fluorophenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide
SMILESCCCn1c(SCC(=O)Nc2cccc(F)c2)nc(O)cc1=O
InChIInChI=1S/C15H16FN3O3S/c1-2-6-19-14(22)8-12(20)18-15(19)23-9-13(21)17-11-5-3-4-10(16)7-11/h3-5,7-8,20H,2,6,9H2,1H3,(H,17,21)
InChIKeyDTLANQAPDKUNKC-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.23
Rot. Bonds6

About N-(3-fluorophenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide

N-(3-fluorophenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 135558611) has the molecular formula C15H16FN3O3S and a molecular weight of 337.38 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide
PubChem CID135558611
Molecular FormulaC15H16FN3O3S
Molecular Weight337.38 g/mol
Exact Mass337.09
IUPAC NameN-(3-fluorophenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide
SMILESCCCn1c(SCC(=O)Nc2cccc(F)c2)nc(O)cc1=O
InChIInChI=1S/C15H16FN3O3S/c1-2-6-19-14(22)8-12(20)18-15(19)23-9-13(21)17-11-5-3-4-10(16)7-11/h3-5,7-8,20H,2,6,9H2,1H3,(H,17,21)
InChIKeyDTLANQAPDKUNKC-UHFFFAOYSA-N
XLogP2.23
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-{[ethyl(4-Fluorophenyl)amino]methyl}-N,2-Dimethyl-5-Oxo-5h-[1,3]thiazolo[3,2-A]pyrimidine-3-Carboxamide
CID 118017587
3,4-dimethyl-2-methylimino-N-phenyl-1,3-thiazole-5-carboxamide
CID 2440663
1-(4-Fluorophenyl)-2-(methylsulfanyl)-6-oxo-1,6-dihydro-4-pyrimidinolate
CID 23704117
2-[(4-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(2-methylphenyl)acetamide
CID 135432371
N-methyl-2-[(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)thio]-N-phenylacetamide
CID 135460600
N-(4-chlorophenyl)-2-[(4-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide
CID 135461905
2-(diethylamino)-2-oxoethyl N'-cyano-N-(2-fluorophenyl)carbamimidothioate
CID 660825
7-[(N-ethyl-4-fluoroanilino)methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 118017591
N-ethyl-7-[(N-ethyl-4-fluoroanilino)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
CID 122438475
N-(5,6-Dihydro-4H-[1,3]thiazin-2-yl)-N-(2-fluoro-phenyl)-acetamide
CID 646627
2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N,N-diphenylacetamide
CID 1296709
2-{[6-Oxo-1-phenyl-4-(trifluoromethyl)-1,6-dihydro-2-pyrimidinyl]sulfanyl}acetic acid
CID 1481693

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-(3-fluorophenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide (CID 135558611) is N-(3-fluorophenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide is CCCn1c(SCC(=O)Nc2cccc(F)c2)nc(O)cc1=O.
What is the InChIKey of N-(3-fluorophenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is DTLANQAPDKUNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O3S/c1-2-6-19-14(22)8-12(20)18-15(19)23-9-13(21)17-11-5-3-4-10(16)7-11/h3-5,7-8,20H,2,6,9H2,1H3,(H,17,21).
What are the key properties of N-(3-fluorophenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide?
N-(3-fluorophenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 337.38 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 135558611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).