3-[4-(cyclooctylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-ol

C17H25N3OS — CID 139931150

IUPAC3-[4-(cyclooctylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-ol
SMILESOCCCc1cc2c(NC3CCCCCCC3)ncnc2s1
InChIInChI=1S/C17H25N3OS/c21-10-6-9-14-11-15-16(18-12-19-17(15)22-14)20-13-7-4-2-1-3-5-8-13/h11-13,21H,1-10H2,(H,18,19,20)
InChIKeyOYKCJOHPWFQKHM-UHFFFAOYSA-N
MW319.47 g/mol
LogP4.14
Rot. Bonds5

About 3-[4-(cyclooctylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-ol

3-[4-(cyclooctylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-ol (PubChem CID 139931150) has the molecular formula C17H25N3OS and a molecular weight of 319.47 g/mol. Its IUPAC name is 3-[4-(cyclooctylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-(cyclooctylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-ol
PubChem CID139931150
Molecular FormulaC17H25N3OS
Molecular Weight319.47 g/mol
Exact Mass319.17
IUPAC Name3-[4-(cyclooctylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-ol
SMILESOCCCc1cc2c(NC3CCCCCCC3)ncnc2s1
InChIInChI=1S/C17H25N3OS/c21-10-6-9-14-11-15-16(18-12-19-17(15)22-14)20-13-7-4-2-1-3-5-8-13/h11-13,21H,1-10H2,(H,18,19,20)
InChIKeyOYKCJOHPWFQKHM-UHFFFAOYSA-N
XLogP4.14
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[4-(cyclooctylamino)thieno[2,3-d]pyrimidin-6-yl]propan-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 3-[4-(cyclooctylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-ol?
The IUPAC name of 3-[4-(cyclooctylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-ol (CID 139931150) is 3-[4-(cyclooctylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-ol.
What is the SMILES notation for 3-[4-(cyclooctylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-ol?
The canonical SMILES for 3-[4-(cyclooctylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-ol is OCCCc1cc2c(NC3CCCCCCC3)ncnc2s1.
What is the InChIKey of 3-[4-(cyclooctylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-ol?
The InChIKey is OYKCJOHPWFQKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3OS/c21-10-6-9-14-11-15-16(18-12-19-17(15)22-14)20-13-7-4-2-1-3-5-8-13/h11-13,21H,1-10H2,(H,18,19,20).
What are the key properties of 3-[4-(cyclooctylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-ol?
3-[4-(cyclooctylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-ol has a molecular weight of 319.47 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclooctylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-ol is sourced from PubChem (CID 139931150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).