3-ethyl-1,2,6-trimethyl-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrimidin-4-one

C13H24N2O — CID 20568868

IUPAC3-ethyl-1,2,6-trimethyl-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrimidin-4-one
SMILESCCC1C(=O)N2C(C)CCCC2N(C)C1C
InChIInChI=1S/C13H24N2O/c1-5-11-10(3)14(4)12-8-6-7-9(2)15(12)13(11)16/h9-12H,5-8H2,1-4H3
InChIKeyNQSXRQCKILMXSA-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.07
Rot. Bonds1

About 3-ethyl-1,2,6-trimethyl-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrimidin-4-one

3-ethyl-1,2,6-trimethyl-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrimidin-4-one (PubChem CID 20568868) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 3-ethyl-1,2,6-trimethyl-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-ethyl-1,2,6-trimethyl-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrimidin-4-one
PubChem CID20568868
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name3-ethyl-1,2,6-trimethyl-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrimidin-4-one
SMILESCCC1C(=O)N2C(C)CCCC2N(C)C1C
InChIInChI=1S/C13H24N2O/c1-5-11-10(3)14(4)12-8-6-7-9(2)15(12)13(11)16/h9-12H,5-8H2,1-4H3
InChIKeyNQSXRQCKILMXSA-UHFFFAOYSA-N
XLogP2.07
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,2,6-trimethyl-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-ethyl-1,2,6-trimethyl-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrimidin-4-one (CID 20568868) is 3-ethyl-1,2,6-trimethyl-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-ethyl-1,2,6-trimethyl-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-ethyl-1,2,6-trimethyl-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrimidin-4-one is CCC1C(=O)N2C(C)CCCC2N(C)C1C.
What is the InChIKey of 3-ethyl-1,2,6-trimethyl-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is NQSXRQCKILMXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-5-11-10(3)14(4)12-8-6-7-9(2)15(12)13(11)16/h9-12H,5-8H2,1-4H3.
What are the key properties of 3-ethyl-1,2,6-trimethyl-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrimidin-4-one?
3-ethyl-1,2,6-trimethyl-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 224.35 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,2,6-trimethyl-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 20568868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).