2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N-phenylacetamide

C15H16N4O2S — CID 655216

IUPAC2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N-phenylacetamide
SMILESC=CCn1c(N)cc(=O)nc1SCC(=O)Nc1ccccc1
InChIInChI=1S/C15H16N4O2S/c1-2-8-19-12(16)9-13(20)18-15(19)22-10-14(21)17-11-6-4-3-5-7-11/h2-7,9H,1,8,10,16H2,(H,17,21)
InChIKeyMZXQZQFSQQBJOG-UHFFFAOYSA-N
MW316.39 g/mol
LogP1.74
Rot. Bonds6

About 2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N-phenylacetamide

2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N-phenylacetamide (PubChem CID 655216) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is 2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N-phenylacetamide
PubChem CID655216
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC Name2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N-phenylacetamide
SMILESC=CCn1c(N)cc(=O)nc1SCC(=O)Nc1ccccc1
InChIInChI=1S/C15H16N4O2S/c1-2-8-19-12(16)9-13(20)18-15(19)22-10-14(21)17-11-6-4-3-5-7-11/h2-7,9H,1,8,10,16H2,(H,17,21)
InChIKeyMZXQZQFSQQBJOG-UHFFFAOYSA-N
XLogP1.74
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-amino-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(4-nitrophenyl)acetamide
CID 135447828
3,4-dimethyl-2-methylimino-N-phenyl-1,3-thiazole-5-carboxamide
CID 2440663
N-methyl-2-[(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)thio]-N-phenylacetamide
CID 135460600
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[(6-oxo-4-propyl-1,6-dihydro-2-pyrimidinyl)thio]acetamide
CID 135532255
N,N'-Diphenyl-N'-(4,5,6,7-tetrahydro-1,3-thiazepin-2-yl)urea
CID 650974
2-{[6-amino-1-(3-methylphenyl)-4-oxo-1,4-dihydro-2-pyrimidinyl]thio}-N-cyclohexylacetamide
CID 2171845
2-{[6-amino-4-oxo-1-(2-phenylethyl)-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide
CID 1521459
N-ethyl-7-[(N-ethyl-4-fluoroanilino)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
CID 122438475
2-[(2E)-2-(cyclohexylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135403874
2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 753421
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 135464466
4(3H)-Pyrimidinone, 2-(methylthio)-3-phenyl-
CID 100235

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N-phenylacetamide?
The IUPAC name of 2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N-phenylacetamide (CID 655216) is 2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N-phenylacetamide.
What is the SMILES notation for 2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N-phenylacetamide?
The canonical SMILES for 2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N-phenylacetamide is C=CCn1c(N)cc(=O)nc1SCC(=O)Nc1ccccc1.
What is the InChIKey of 2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N-phenylacetamide?
The InChIKey is MZXQZQFSQQBJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c1-2-8-19-12(16)9-13(20)18-15(19)22-10-14(21)17-11-6-4-3-5-7-11/h2-7,9H,1,8,10,16H2,(H,17,21).
What are the key properties of 2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N-phenylacetamide?
2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N-phenylacetamide has a molecular weight of 316.39 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N-phenylacetamide is sourced from PubChem (CID 655216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).