2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide

C17H16N4O3S — CID 16832954

IUPAC2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
SMILESNc1cc(=O)nc(SCC(=O)NCc2ccco2)n1-c1ccccc1
InChIInChI=1S/C17H16N4O3S/c18-14-9-15(22)20-17(21(14)12-5-2-1-3-6-12)25-11-16(23)19-10-13-7-4-8-24-13/h1-9H,10-11,18H2,(H,19,23)
InChIKeyCWOPMFGXLZIFBA-UHFFFAOYSA-N
MW356.41 g/mol
LogP1.82
Rot. Bonds6

About 2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide

2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide (PubChem CID 16832954) has the molecular formula C17H16N4O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is 2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
PubChem CID16832954
Molecular FormulaC17H16N4O3S
Molecular Weight356.41 g/mol
Exact Mass356.09
IUPAC Name2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
SMILESNc1cc(=O)nc(SCC(=O)NCc2ccco2)n1-c1ccccc1
InChIInChI=1S/C17H16N4O3S/c18-14-9-15(22)20-17(21(14)12-5-2-1-3-6-12)25-11-16(23)19-10-13-7-4-8-24-13/h1-9H,10-11,18H2,(H,19,23)
InChIKeyCWOPMFGXLZIFBA-UHFFFAOYSA-N
XLogP1.82
TPSA103.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[6-amino-1-(4-ethoxyphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 16832956
2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 2595050
methyl 2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-4-oxo-3-phenylquinazoline-7-carboxylate
CID 2673547
N-(furan-2-ylmethyl)-2-[[5-(3-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2660206
N-(furan-2-ylmethyl)-2-[5-(furan-2-yl)-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide
CID 1281399
2-[[4,6-bis[[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl]-1,3,5-triazin-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 3116887
N-(furan-2-ylmethyl)-2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1042089
N-(furan-2-ylmethyl)-2-(4-oxo-3-phenyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 2386977
2-[[5-benzyl-4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 1206641
2-[3-(2,3-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 2584491
N-(furan-2-ylmethyl)-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide
CID 2585294
N-(furan-2-ylmethyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
CID 4218299

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide (CID 16832954) is 2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide is Nc1cc(=O)nc(SCC(=O)NCc2ccco2)n1-c1ccccc1.
What is the InChIKey of 2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
The InChIKey is CWOPMFGXLZIFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S/c18-14-9-15(22)20-17(21(14)12-5-2-1-3-6-12)25-11-16(23)19-10-13-7-4-8-24-13/h1-9H,10-11,18H2,(H,19,23).
What are the key properties of 2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide has a molecular weight of 356.41 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 16832954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).