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

C10H19N3O — CID 18685039

IUPAC1,3,8a-trimethyl-4,4a,5,6,7,8-hexahydropyrido[3,4-d]pyrimidin-2-one
SMILESCN1CC2CCNCC2(C)N(C)C1=O
InChIInChI=1S/C10H19N3O/c1-10-7-11-5-4-8(10)6-12(2)9(14)13(10)3/h8,11H,4-7H2,1-3H3
InChIKeyHRFMTIBPIWUBLI-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.35
Rot. Bonds

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

1,3,8a-trimethyl-4,4a,5,6,7,8-hexahydropyrido[3,4-d]pyrimidin-2-one (PubChem CID 18685039) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 1,3,8a-trimethyl-4,4a,5,6,7,8-hexahydropyrido[3,4-d]pyrimidin-2-one.

Molecular Properties

Compound Name1,3,8a-trimethyl-4,4a,5,6,7,8-hexahydropyrido[3,4-d]pyrimidin-2-one
PubChem CID18685039
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name1,3,8a-trimethyl-4,4a,5,6,7,8-hexahydropyrido[3,4-d]pyrimidin-2-one
SMILESCN1CC2CCNCC2(C)N(C)C1=O
InChIInChI=1S/C10H19N3O/c1-10-7-11-5-4-8(10)6-12(2)9(14)13(10)3/h8,11H,4-7H2,1-3H3
InChIKeyHRFMTIBPIWUBLI-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

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Frequently Asked Questions

What is the IUPAC name of 1,3,8a-trimethyl-4,4a,5,6,7,8-hexahydropyrido[3,4-d]pyrimidin-2-one?
The IUPAC name of 1,3,8a-trimethyl-4,4a,5,6,7,8-hexahydropyrido[3,4-d]pyrimidin-2-one (CID 18685039) is 1,3,8a-trimethyl-4,4a,5,6,7,8-hexahydropyrido[3,4-d]pyrimidin-2-one.
What is the SMILES notation for 1,3,8a-trimethyl-4,4a,5,6,7,8-hexahydropyrido[3,4-d]pyrimidin-2-one?
The canonical SMILES for 1,3,8a-trimethyl-4,4a,5,6,7,8-hexahydropyrido[3,4-d]pyrimidin-2-one is CN1CC2CCNCC2(C)N(C)C1=O.
What is the InChIKey of 1,3,8a-trimethyl-4,4a,5,6,7,8-hexahydropyrido[3,4-d]pyrimidin-2-one?
The InChIKey is HRFMTIBPIWUBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-10-7-11-5-4-8(10)6-12(2)9(14)13(10)3/h8,11H,4-7H2,1-3H3.
What are the key properties of 1,3,8a-trimethyl-4,4a,5,6,7,8-hexahydropyrido[3,4-d]pyrimidin-2-one?
1,3,8a-trimethyl-4,4a,5,6,7,8-hexahydropyrido[3,4-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 1,3,8a-trimethyl-4,4a,5,6,7,8-hexahydropyrido[3,4-d]pyrimidin-2-one is sourced from PubChem (CID 18685039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).