5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;dihydrochloride

C7H11Cl2N3 — CID 19883247

IUPAC5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;dihydrochloride
SMILESCl.Cl.c1ncc2c(n1)CCNC2
InChIInChI=1S/C7H9N3.2ClH/c1-2-8-3-6-4-9-5-10-7(1)6;;/h4-5,8H,1-3H2;2*1H
InChIKeyWLSBRWTXCPUJMN-UHFFFAOYSA-N
MW208.09 g/mol
LogP0.97
Rot. Bonds

About 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;dihydrochloride

5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;dihydrochloride (PubChem CID 19883247) has the molecular formula C7H11Cl2N3 and a molecular weight of 208.09 g/mol. Its IUPAC name is 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;dihydrochloride.

Molecular Properties

Compound Name5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;dihydrochloride
PubChem CID19883247
Molecular FormulaC7H11Cl2N3
Molecular Weight208.09 g/mol
Exact Mass207.03
IUPAC Name5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;dihydrochloride
SMILESCl.Cl.c1ncc2c(n1)CCNC2
InChIInChI=1S/C7H9N3.2ClH/c1-2-8-3-6-4-9-5-10-7(1)6;;/h4-5,8H,1-3H2;2*1H
InChIKeyWLSBRWTXCPUJMN-UHFFFAOYSA-N
XLogP0.97
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.09
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;dihydrochloride 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 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;dihydrochloride?
The IUPAC name of 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;dihydrochloride (CID 19883247) is 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;dihydrochloride.
What is the SMILES notation for 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;dihydrochloride?
The canonical SMILES for 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;dihydrochloride is Cl.Cl.c1ncc2c(n1)CCNC2.
What is the InChIKey of 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;dihydrochloride?
The InChIKey is WLSBRWTXCPUJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3.2ClH/c1-2-8-3-6-4-9-5-10-7(1)6;;/h4-5,8H,1-3H2;2*1H.
What are the key properties of 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;dihydrochloride?
5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;dihydrochloride has a molecular weight of 208.09 g/mol, XLogP of 0.97, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;dihydrochloride is sourced from PubChem (CID 19883247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).