[2-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]-1-bicyclo[3.1.0]hexanyl]methanol

C18H18N4OS — CID 166310130

IUPAC[2-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]-1-bicyclo[3.1.0]hexanyl]methanol
SMILESOCC12CC1CCC2Nc1nc(-c2ccccn2)nc2sccc12
InChIInChI=1S/C18H18N4OS/c23-10-18-9-11(18)4-5-14(18)20-15-12-6-8-24-17(12)22-16(21-15)13-3-1-2-7-19-13/h1-3,6-8,11,14,23H,4-5,9-10H2,(H,20,21,22)
InChIKeyJTSZYTOFZDWUIE-UHFFFAOYSA-N
MW338.44 g/mol
LogP3.33
Rot. Bonds4

About [2-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]-1-bicyclo[3.1.0]hexanyl]methanol

[2-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]-1-bicyclo[3.1.0]hexanyl]methanol (PubChem CID 166310130) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is [2-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]-1-bicyclo[3.1.0]hexanyl]methanol.

Molecular Properties

Compound Name[2-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]-1-bicyclo[3.1.0]hexanyl]methanol
PubChem CID166310130
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC Name[2-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]-1-bicyclo[3.1.0]hexanyl]methanol
SMILESOCC12CC1CCC2Nc1nc(-c2ccccn2)nc2sccc12
InChIInChI=1S/C18H18N4OS/c23-10-18-9-11(18)4-5-14(18)20-15-12-6-8-24-17(12)22-16(21-15)13-3-1-2-7-19-13/h1-3,6-8,11,14,23H,4-5,9-10H2,(H,20,21,22)
InChIKeyJTSZYTOFZDWUIE-UHFFFAOYSA-N
XLogP3.33
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]-1-bicyclo[3.1.0]hexanyl]methanol 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-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]-1-bicyclo[3.1.0]hexanyl]methanol?
The IUPAC name of [2-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]-1-bicyclo[3.1.0]hexanyl]methanol (CID 166310130) is [2-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]-1-bicyclo[3.1.0]hexanyl]methanol.
What is the SMILES notation for [2-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]-1-bicyclo[3.1.0]hexanyl]methanol?
The canonical SMILES for [2-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]-1-bicyclo[3.1.0]hexanyl]methanol is OCC12CC1CCC2Nc1nc(-c2ccccn2)nc2sccc12.
What is the InChIKey of [2-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]-1-bicyclo[3.1.0]hexanyl]methanol?
The InChIKey is JTSZYTOFZDWUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS/c23-10-18-9-11(18)4-5-14(18)20-15-12-6-8-24-17(12)22-16(21-15)13-3-1-2-7-19-13/h1-3,6-8,11,14,23H,4-5,9-10H2,(H,20,21,22).
What are the key properties of [2-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]-1-bicyclo[3.1.0]hexanyl]methanol?
[2-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]-1-bicyclo[3.1.0]hexanyl]methanol has a molecular weight of 338.44 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]-1-bicyclo[3.1.0]hexanyl]methanol is sourced from PubChem (CID 166310130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).