4-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol

C23H22N4OS — CID 9320505

IUPAC4-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)CC1
InChIInChI=1S/C23H22N4OS/c28-17-11-9-16(10-12-17)25-22-20-18(15-6-2-1-3-7-15)14-29-23(20)27-21(26-22)19-8-4-5-13-24-19/h1-8,13-14,16-17,28H,9-12H2,(H,25,26,27)
InChIKeyHYKWGLFMOAKCEG-UHFFFAOYSA-N
MW402.52 g/mol
LogP5.14
Rot. Bonds4

About 4-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol

4-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol (PubChem CID 9320505) has the molecular formula C23H22N4OS and a molecular weight of 402.52 g/mol. Its IUPAC name is 4-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol
PubChem CID9320505
Molecular FormulaC23H22N4OS
Molecular Weight402.52 g/mol
Exact Mass402.15
IUPAC Name4-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)CC1
InChIInChI=1S/C23H22N4OS/c28-17-11-9-16(10-12-17)25-22-20-18(15-6-2-1-3-7-15)14-29-23(20)27-21(26-22)19-8-4-5-13-24-19/h1-8,13-14,16-17,28H,9-12H2,(H,25,26,27)
InChIKeyHYKWGLFMOAKCEG-UHFFFAOYSA-N
XLogP5.14
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.52
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol (CID 9320505) is 4-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol is OC1CCC(Nc2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)CC1.
What is the InChIKey of 4-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol?
The InChIKey is HYKWGLFMOAKCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4OS/c28-17-11-9-16(10-12-17)25-22-20-18(15-6-2-1-3-7-15)14-29-23(20)27-21(26-22)19-8-4-5-13-24-19/h1-8,13-14,16-17,28H,9-12H2,(H,25,26,27).
What are the key properties of 4-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol?
4-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol has a molecular weight of 402.52 g/mol, XLogP of 5.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 9320505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).