2-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]amino]cyclohexan-1-ol

C23H28N4OS — CID 2796118

IUPAC2-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]amino]cyclohexan-1-ol
SMILESOC1CCCCC1NC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1
InChIInChI=1S/C23H28N4OS/c28-20-9-5-4-8-19(20)26-17-10-12-27(13-11-17)22-21-18(16-6-2-1-3-7-16)14-29-23(21)25-15-24-22/h1-3,6-7,14-15,17,19-20,26,28H,4-5,8-13H2
InChIKeyKULJWIMKNZHLIB-UHFFFAOYSA-N
MW408.57 g/mol
LogP4.22
Rot. Bonds4

About 2-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]amino]cyclohexan-1-ol

2-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]amino]cyclohexan-1-ol (PubChem CID 2796118) has the molecular formula C23H28N4OS and a molecular weight of 408.57 g/mol. Its IUPAC name is 2-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]amino]cyclohexan-1-ol
PubChem CID2796118
Molecular FormulaC23H28N4OS
Molecular Weight408.57 g/mol
Exact Mass408.20
IUPAC Name2-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]amino]cyclohexan-1-ol
SMILESOC1CCCCC1NC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1
InChIInChI=1S/C23H28N4OS/c28-20-9-5-4-8-19(20)26-17-10-12-27(13-11-17)22-21-18(16-6-2-1-3-7-16)14-29-23(21)25-15-24-22/h1-3,6-7,14-15,17,19-20,26,28H,4-5,8-13H2
InChIKeyKULJWIMKNZHLIB-UHFFFAOYSA-N
XLogP4.22
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.57
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]amino]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]amino]cyclohexan-1-ol?
The IUPAC name of 2-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]amino]cyclohexan-1-ol (CID 2796118) is 2-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 2-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]amino]cyclohexan-1-ol is OC1CCCCC1NC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1.
What is the InChIKey of 2-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]amino]cyclohexan-1-ol?
The InChIKey is KULJWIMKNZHLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4OS/c28-20-9-5-4-8-19(20)26-17-10-12-27(13-11-17)22-21-18(16-6-2-1-3-7-16)14-29-23(21)25-15-24-22/h1-3,6-7,14-15,17,19-20,26,28H,4-5,8-13H2.
What are the key properties of 2-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]amino]cyclohexan-1-ol?
2-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]amino]cyclohexan-1-ol has a molecular weight of 408.57 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 2796118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).