1,4a,6-trimethyl-3,4,5,7,8,8a-hexahydropyrido[4,3-d]pyrimidin-2-one

C10H19N3O — CID 22972812

IUPAC1,4a,6-trimethyl-3,4,5,7,8,8a-hexahydropyrido[4,3-d]pyrimidin-2-one
SMILESCN1CCC2N(C)C(=O)NCC2(C)C1
InChIInChI=1S/C10H19N3O/c1-10-6-11-9(14)13(3)8(10)4-5-12(2)7-10/h8H,4-7H2,1-3H3,(H,11,14)
InChIKeyLZJVWUJUKZABKS-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.35
Rot. Bonds

About 1,4a,6-trimethyl-3,4,5,7,8,8a-hexahydropyrido[4,3-d]pyrimidin-2-one

1,4a,6-trimethyl-3,4,5,7,8,8a-hexahydropyrido[4,3-d]pyrimidin-2-one (PubChem CID 22972812) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 1,4a,6-trimethyl-3,4,5,7,8,8a-hexahydropyrido[4,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name1,4a,6-trimethyl-3,4,5,7,8,8a-hexahydropyrido[4,3-d]pyrimidin-2-one
PubChem CID22972812
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name1,4a,6-trimethyl-3,4,5,7,8,8a-hexahydropyrido[4,3-d]pyrimidin-2-one
SMILESCN1CCC2N(C)C(=O)NCC2(C)C1
InChIInChI=1S/C10H19N3O/c1-10-6-11-9(14)13(3)8(10)4-5-12(2)7-10/h8H,4-7H2,1-3H3,(H,11,14)
InChIKeyLZJVWUJUKZABKS-UHFFFAOYSA-N
XLogP0.35
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,4a,6-trimethyl-3,4,5,7,8,8a-hexahydropyrido[4,3-d]pyrimidin-2-one 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 1,4a,6-trimethyl-3,4,5,7,8,8a-hexahydropyrido[4,3-d]pyrimidin-2-one?
The IUPAC name of 1,4a,6-trimethyl-3,4,5,7,8,8a-hexahydropyrido[4,3-d]pyrimidin-2-one (CID 22972812) is 1,4a,6-trimethyl-3,4,5,7,8,8a-hexahydropyrido[4,3-d]pyrimidin-2-one.
What is the SMILES notation for 1,4a,6-trimethyl-3,4,5,7,8,8a-hexahydropyrido[4,3-d]pyrimidin-2-one?
The canonical SMILES for 1,4a,6-trimethyl-3,4,5,7,8,8a-hexahydropyrido[4,3-d]pyrimidin-2-one is CN1CCC2N(C)C(=O)NCC2(C)C1.
What is the InChIKey of 1,4a,6-trimethyl-3,4,5,7,8,8a-hexahydropyrido[4,3-d]pyrimidin-2-one?
The InChIKey is LZJVWUJUKZABKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-10-6-11-9(14)13(3)8(10)4-5-12(2)7-10/h8H,4-7H2,1-3H3,(H,11,14).
What are the key properties of 1,4a,6-trimethyl-3,4,5,7,8,8a-hexahydropyrido[4,3-d]pyrimidin-2-one?
1,4a,6-trimethyl-3,4,5,7,8,8a-hexahydropyrido[4,3-d]pyrimidin-2-one has a molecular weight of 197.28 g/mol, XLogP of 0.35, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4a,6-trimethyl-3,4,5,7,8,8a-hexahydropyrido[4,3-d]pyrimidin-2-one is sourced from PubChem (CID 22972812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).