3-(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)propan-1-amine

C9H12ClN3S — CID 86632801

IUPAC3-(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)propan-1-amine
SMILESNCCCc1nc(Cl)nc2c1SCC2
InChIInChI=1S/C9H12ClN3S/c10-9-12-6(2-1-4-11)8-7(13-9)3-5-14-8/h1-5,11H2
InChIKeyRHUCZWVBXMCWDH-UHFFFAOYSA-N
MW229.74 g/mol
LogP1.67
Rot. Bonds3

About 3-(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)propan-1-amine

3-(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)propan-1-amine (PubChem CID 86632801) has the molecular formula C9H12ClN3S and a molecular weight of 229.74 g/mol. Its IUPAC name is 3-(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)propan-1-amine
PubChem CID86632801
Molecular FormulaC9H12ClN3S
Molecular Weight229.74 g/mol
Exact Mass229.04
IUPAC Name3-(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)propan-1-amine
SMILESNCCCc1nc(Cl)nc2c1SCC2
InChIInChI=1S/C9H12ClN3S/c10-9-12-6(2-1-4-11)8-7(13-9)3-5-14-8/h1-5,11H2
InChIKeyRHUCZWVBXMCWDH-UHFFFAOYSA-N
XLogP1.67
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.74
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)propan-1-amine 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-(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)propan-1-amine?
The IUPAC name of 3-(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)propan-1-amine (CID 86632801) is 3-(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)propan-1-amine.
What is the SMILES notation for 3-(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)propan-1-amine?
The canonical SMILES for 3-(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)propan-1-amine is NCCCc1nc(Cl)nc2c1SCC2.
What is the InChIKey of 3-(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)propan-1-amine?
The InChIKey is RHUCZWVBXMCWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3S/c10-9-12-6(2-1-4-11)8-7(13-9)3-5-14-8/h1-5,11H2.
What are the key properties of 3-(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)propan-1-amine?
3-(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)propan-1-amine has a molecular weight of 229.74 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)propan-1-amine is sourced from PubChem (CID 86632801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).