2-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]ethanol

C15H16N2OS — CID 2035984

IUPAC2-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]ethanol
SMILESOCCSc1nc(-c2ccccc2)nc2c1CCC2
InChIInChI=1S/C15H16N2OS/c18-9-10-19-15-12-7-4-8-13(12)16-14(17-15)11-5-2-1-3-6-11/h1-3,5-6,18H,4,7-10H2
InChIKeyVKXHPQGOQADXGT-UHFFFAOYSA-N
MW272.37 g/mol
LogP2.72
Rot. Bonds4

About 2-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]ethanol

2-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]ethanol (PubChem CID 2035984) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]ethanol.

Molecular Properties

Compound Name2-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]ethanol
PubChem CID2035984
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name2-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]ethanol
SMILESOCCSc1nc(-c2ccccc2)nc2c1CCC2
InChIInChI=1S/C15H16N2OS/c18-9-10-19-15-12-7-4-8-13(12)16-14(17-15)11-5-2-1-3-6-11/h1-3,5-6,18H,4,7-10H2
InChIKeyVKXHPQGOQADXGT-UHFFFAOYSA-N
XLogP2.72
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]ethanol?
The IUPAC name of 2-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]ethanol (CID 2035984) is 2-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]ethanol.
What is the SMILES notation for 2-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]ethanol?
The canonical SMILES for 2-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]ethanol is OCCSc1nc(-c2ccccc2)nc2c1CCC2.
What is the InChIKey of 2-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]ethanol?
The InChIKey is VKXHPQGOQADXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c18-9-10-19-15-12-7-4-8-13(12)16-14(17-15)11-5-2-1-3-6-11/h1-3,5-6,18H,4,7-10H2.
What are the key properties of 2-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]ethanol?
2-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]ethanol has a molecular weight of 272.37 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]ethanol is sourced from PubChem (CID 2035984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).