(2R)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylcyclohexan-1-one

C18H16N2OS2 — CID 7888534

IUPAC(2R)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylcyclohexan-1-one
SMILESO=C1CCCC[C@H]1Sc1ncnc2sc(-c3ccccc3)cc12
InChIInChI=1S/C18H16N2OS2/c21-14-8-4-5-9-15(14)22-17-13-10-16(12-6-2-1-3-7-12)23-18(13)20-11-19-17/h1-3,6-7,10-11,15H,4-5,8-9H2/t15-/m1/s1
InChIKeyRPMPGKPEAJZXSD-OAHLLOKOSA-N
MW340.47 g/mol
LogP4.96
Rot. Bonds3

About (2R)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylcyclohexan-1-one

(2R)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylcyclohexan-1-one (PubChem CID 7888534) has the molecular formula C18H16N2OS2 and a molecular weight of 340.47 g/mol. Its IUPAC name is (2R)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylcyclohexan-1-one.

Molecular Properties

Compound Name(2R)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylcyclohexan-1-one
PubChem CID7888534
Molecular FormulaC18H16N2OS2
Molecular Weight340.47 g/mol
Exact Mass340.07
IUPAC Name(2R)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylcyclohexan-1-one
SMILESO=C1CCCC[C@H]1Sc1ncnc2sc(-c3ccccc3)cc12
InChIInChI=1S/C18H16N2OS2/c21-14-8-4-5-9-15(14)22-17-13-10-16(12-6-2-1-3-7-12)23-18(13)20-11-19-17/h1-3,6-7,10-11,15H,4-5,8-9H2/t15-/m1/s1
InChIKeyRPMPGKPEAJZXSD-OAHLLOKOSA-N
XLogP4.96
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylcyclohexan-1-one?
The IUPAC name of (2R)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylcyclohexan-1-one (CID 7888534) is (2R)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylcyclohexan-1-one.
What is the SMILES notation for (2R)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylcyclohexan-1-one?
The canonical SMILES for (2R)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylcyclohexan-1-one is O=C1CCCC[C@H]1Sc1ncnc2sc(-c3ccccc3)cc12.
What is the InChIKey of (2R)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylcyclohexan-1-one?
The InChIKey is RPMPGKPEAJZXSD-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H16N2OS2/c21-14-8-4-5-9-15(14)22-17-13-10-16(12-6-2-1-3-7-12)23-18(13)20-11-19-17/h1-3,6-7,10-11,15H,4-5,8-9H2/t15-/m1/s1.
What are the key properties of (2R)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylcyclohexan-1-one?
(2R)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylcyclohexan-1-one has a molecular weight of 340.47 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylcyclohexan-1-one is sourced from PubChem (CID 7888534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).