6-methyl-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-pyrimidin-2-one

C17H20N4O2S — CID 7178070

IUPAC6-methyl-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-pyrimidin-2-one
SMILESCc1cc(SCC(=O)N2CCN(c3ccccc3)CC2)nc(=O)[nH]1
InChIInChI=1S/C17H20N4O2S/c1-13-11-15(19-17(23)18-13)24-12-16(22)21-9-7-20(8-10-21)14-5-3-2-4-6-14/h2-6,11H,7-10,12H2,1H3,(H,18,19,23)
InChIKeyKRBOVJRBISYELH-UHFFFAOYSA-N
MW344.44 g/mol
LogP1.52
Rot. Bonds4

About 6-methyl-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-pyrimidin-2-one

6-methyl-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-pyrimidin-2-one (PubChem CID 7178070) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is 6-methyl-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-methyl-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-pyrimidin-2-one
PubChem CID7178070
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name6-methyl-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-pyrimidin-2-one
SMILESCc1cc(SCC(=O)N2CCN(c3ccccc3)CC2)nc(=O)[nH]1
InChIInChI=1S/C17H20N4O2S/c1-13-11-15(19-17(23)18-13)24-12-16(22)21-9-7-20(8-10-21)14-5-3-2-4-6-14/h2-6,11H,7-10,12H2,1H3,(H,18,19,23)
InChIKeyKRBOVJRBISYELH-UHFFFAOYSA-N
XLogP1.52
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-4-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-2-one
CID 7183942
1-[4-(3-methylphenyl)piperazin-1-yl]-2-phenylsulfanylethanone
CID 39073649
4-[(4-phenylpiperazin-1-yl)methyl]-2-[4-(2-phenylsulfanylacetyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 135933156
5-ethyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one
CID 135938309
2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone
CID 6458768
2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 1332934
2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 7160812
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-2-ylsulfanylethanone
CID 7753218
1-(3-chlorophenyl)-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135873733
6-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136934134
2-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone
CID 35477134
2-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 1094264

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-pyrimidin-2-one?
The IUPAC name of 6-methyl-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-pyrimidin-2-one (CID 7178070) is 6-methyl-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-pyrimidin-2-one.
What is the SMILES notation for 6-methyl-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-pyrimidin-2-one?
The canonical SMILES for 6-methyl-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-pyrimidin-2-one is Cc1cc(SCC(=O)N2CCN(c3ccccc3)CC2)nc(=O)[nH]1.
What is the InChIKey of 6-methyl-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-pyrimidin-2-one?
The InChIKey is KRBOVJRBISYELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-13-11-15(19-17(23)18-13)24-12-16(22)21-9-7-20(8-10-21)14-5-3-2-4-6-14/h2-6,11H,7-10,12H2,1H3,(H,18,19,23).
What are the key properties of 6-methyl-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-pyrimidin-2-one?
6-methyl-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-pyrimidin-2-one has a molecular weight of 344.44 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-pyrimidin-2-one is sourced from PubChem (CID 7178070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).