3-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one;dihydrochloride

C8H13Cl2N3O — CID 86775360

IUPAC3-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one;dihydrochloride
SMILESCl.Cl.Cn1cnc2c(c1=O)CCNC2
InChIInChI=1S/C8H11N3O.2ClH/c1-11-5-10-7-4-9-3-2-6(7)8(11)12;;/h5,9H,2-4H2,1H3;2*1H
InChIKeyJFTFYKHHNCVWEY-UHFFFAOYSA-N
MW238.12 g/mol
LogP0.27
Rot. Bonds

About 3-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one;dihydrochloride

3-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one;dihydrochloride (PubChem CID 86775360) has the molecular formula C8H13Cl2N3O and a molecular weight of 238.12 g/mol. Its IUPAC name is 3-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one;dihydrochloride.

Molecular Properties

Compound Name3-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one;dihydrochloride
PubChem CID86775360
Molecular FormulaC8H13Cl2N3O
Molecular Weight238.12 g/mol
Exact Mass237.04
IUPAC Name3-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one;dihydrochloride
SMILESCl.Cl.Cn1cnc2c(c1=O)CCNC2
InChIInChI=1S/C8H11N3O.2ClH/c1-11-5-10-7-4-9-3-2-6(7)8(11)12;;/h5,9H,2-4H2,1H3;2*1H
InChIKeyJFTFYKHHNCVWEY-UHFFFAOYSA-N
XLogP0.27
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.12
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one;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 3-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one;dihydrochloride?
The IUPAC name of 3-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one;dihydrochloride (CID 86775360) is 3-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one;dihydrochloride.
What is the SMILES notation for 3-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one;dihydrochloride?
The canonical SMILES for 3-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one;dihydrochloride is Cl.Cl.Cn1cnc2c(c1=O)CCNC2.
What is the InChIKey of 3-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one;dihydrochloride?
The InChIKey is JFTFYKHHNCVWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O.2ClH/c1-11-5-10-7-4-9-3-2-6(7)8(11)12;;/h5,9H,2-4H2,1H3;2*1H.
What are the key properties of 3-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one;dihydrochloride?
3-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one;dihydrochloride has a molecular weight of 238.12 g/mol, XLogP of 0.27, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one;dihydrochloride is sourced from PubChem (CID 86775360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).