2-N-thieno[3,2-d]pyrimidin-4-ylcyclohexane-1,2-diamine

C12H16N4S — CID 61037130

IUPAC2-N-thieno[3,2-d]pyrimidin-4-ylcyclohexane-1,2-diamine
SMILESNC1CCCCC1Nc1ncnc2ccsc12
InChIInChI=1S/C12H16N4S/c13-8-3-1-2-4-9(8)16-12-11-10(5-6-17-11)14-7-15-12/h5-9H,1-4,13H2,(H,14,15,16)
InChIKeyPJPZIRFZRXNJLB-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.37
Rot. Bonds2

About 2-N-thieno[3,2-d]pyrimidin-4-ylcyclohexane-1,2-diamine

2-N-thieno[3,2-d]pyrimidin-4-ylcyclohexane-1,2-diamine (PubChem CID 61037130) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-N-thieno[3,2-d]pyrimidin-4-ylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-thieno[3,2-d]pyrimidin-4-ylcyclohexane-1,2-diamine
PubChem CID61037130
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name2-N-thieno[3,2-d]pyrimidin-4-ylcyclohexane-1,2-diamine
SMILESNC1CCCCC1Nc1ncnc2ccsc12
InChIInChI=1S/C12H16N4S/c13-8-3-1-2-4-9(8)16-12-11-10(5-6-17-11)14-7-15-12/h5-9H,1-4,13H2,(H,14,15,16)
InChIKeyPJPZIRFZRXNJLB-UHFFFAOYSA-N
XLogP2.37
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-N-thieno[3,2-d]pyrimidin-4-ylcyclohexane-1,2-diamine 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-N-thieno[3,2-d]pyrimidin-4-ylcyclohexane-1,2-diamine?
The IUPAC name of 2-N-thieno[3,2-d]pyrimidin-4-ylcyclohexane-1,2-diamine (CID 61037130) is 2-N-thieno[3,2-d]pyrimidin-4-ylcyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-thieno[3,2-d]pyrimidin-4-ylcyclohexane-1,2-diamine?
The canonical SMILES for 2-N-thieno[3,2-d]pyrimidin-4-ylcyclohexane-1,2-diamine is NC1CCCCC1Nc1ncnc2ccsc12.
What is the InChIKey of 2-N-thieno[3,2-d]pyrimidin-4-ylcyclohexane-1,2-diamine?
The InChIKey is PJPZIRFZRXNJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c13-8-3-1-2-4-9(8)16-12-11-10(5-6-17-11)14-7-15-12/h5-9H,1-4,13H2,(H,14,15,16).
What are the key properties of 2-N-thieno[3,2-d]pyrimidin-4-ylcyclohexane-1,2-diamine?
2-N-thieno[3,2-d]pyrimidin-4-ylcyclohexane-1,2-diamine has a molecular weight of 248.35 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-thieno[3,2-d]pyrimidin-4-ylcyclohexane-1,2-diamine is sourced from PubChem (CID 61037130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).