3-methyl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine

C9H16N2 — CID 22670666

IUPAC3-methyl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine
SMILESCC1CN=C2CCCCN2C1
InChIInChI=1S/C9H16N2/c1-8-6-10-9-4-2-3-5-11(9)7-8/h8H,2-7H2,1H3
InChIKeyABBLYCVWUCTOOW-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.52
Rot. Bonds

About 3-methyl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine

3-methyl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine (PubChem CID 22670666) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 3-methyl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine.

Molecular Properties

Compound Name3-methyl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine
PubChem CID22670666
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name3-methyl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine
SMILESCC1CN=C2CCCCN2C1
InChIInChI=1S/C9H16N2/c1-8-6-10-9-4-2-3-5-11(9)7-8/h8H,2-7H2,1H3
InChIKeyABBLYCVWUCTOOW-UHFFFAOYSA-N
XLogP1.52
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-methyl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine 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-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine?
The IUPAC name of 3-methyl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine (CID 22670666) is 3-methyl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine.
What is the SMILES notation for 3-methyl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine?
The canonical SMILES for 3-methyl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine is CC1CN=C2CCCCN2C1.
What is the InChIKey of 3-methyl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine?
The InChIKey is ABBLYCVWUCTOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-8-6-10-9-4-2-3-5-11(9)7-8/h8H,2-7H2,1H3.
What are the key properties of 3-methyl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine?
3-methyl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine has a molecular weight of 152.24 g/mol, XLogP of 1.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine is sourced from PubChem (CID 22670666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).