4-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-2-amine

C6H6ClN3S — CID 89028622

IUPAC4-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-2-amine
SMILESNc1nc(Cl)c2c(n1)CCS2
InChIInChI=1S/C6H6ClN3S/c7-5-4-3(1-2-11-4)9-6(8)10-5/h1-2H2,(H2,8,9,10)
InChIKeyHUYHYUYSUVFBIB-UHFFFAOYSA-N
MW187.66 g/mol
LogP1.36
Rot. Bonds

About 4-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-2-amine

4-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-2-amine (PubChem CID 89028622) has the molecular formula C6H6ClN3S and a molecular weight of 187.66 g/mol. Its IUPAC name is 4-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-2-amine
PubChem CID89028622
Molecular FormulaC6H6ClN3S
Molecular Weight187.66 g/mol
Exact Mass187.00
IUPAC Name4-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-2-amine
SMILESNc1nc(Cl)c2c(n1)CCS2
InChIInChI=1S/C6H6ClN3S/c7-5-4-3(1-2-11-4)9-6(8)10-5/h1-2H2,(H2,8,9,10)
InChIKeyHUYHYUYSUVFBIB-UHFFFAOYSA-N
XLogP1.36
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.66
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-2-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 4-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-2-amine?
The IUPAC name of 4-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-2-amine (CID 89028622) is 4-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-2-amine is Nc1nc(Cl)c2c(n1)CCS2.
What is the InChIKey of 4-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-2-amine?
The InChIKey is HUYHYUYSUVFBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClN3S/c7-5-4-3(1-2-11-4)9-6(8)10-5/h1-2H2,(H2,8,9,10).
What are the key properties of 4-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-2-amine?
4-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-2-amine has a molecular weight of 187.66 g/mol, XLogP of 1.36, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 89028622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).