2-cyclobutyl-5-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-1H-pyrimidin-6-one

C18H26N4O2 — CID 167919806

IUPAC2-cyclobutyl-5-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-1H-pyrimidin-6-one
SMILESCC1CN2CCCCC2CN1C(=O)c1cnc(C2CCC2)[nH]c1=O
InChIInChI=1S/C18H26N4O2/c1-12-10-21-8-3-2-7-14(21)11-22(12)18(24)15-9-19-16(20-17(15)23)13-5-4-6-13/h9,12-14H,2-8,10-11H2,1H3,(H,19,20,23)
InChIKeyAWQOEVQNXCPULA-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.74
Rot. Bonds2

About 2-cyclobutyl-5-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-1H-pyrimidin-6-one

2-cyclobutyl-5-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-1H-pyrimidin-6-one (PubChem CID 167919806) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-cyclobutyl-5-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclobutyl-5-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-1H-pyrimidin-6-one
PubChem CID167919806
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name2-cyclobutyl-5-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-1H-pyrimidin-6-one
SMILESCC1CN2CCCCC2CN1C(=O)c1cnc(C2CCC2)[nH]c1=O
InChIInChI=1S/C18H26N4O2/c1-12-10-21-8-3-2-7-14(21)11-22(12)18(24)15-9-19-16(20-17(15)23)13-5-4-6-13/h9,12-14H,2-8,10-11H2,1H3,(H,19,20,23)
InChIKeyAWQOEVQNXCPULA-UHFFFAOYSA-N
XLogP1.74
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-cyclobutyl-5-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-1H-pyrimidin-6-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 2-cyclobutyl-5-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclobutyl-5-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-1H-pyrimidin-6-one (CID 167919806) is 2-cyclobutyl-5-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclobutyl-5-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclobutyl-5-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-1H-pyrimidin-6-one is CC1CN2CCCCC2CN1C(=O)c1cnc(C2CCC2)[nH]c1=O.
What is the InChIKey of 2-cyclobutyl-5-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-1H-pyrimidin-6-one?
The InChIKey is AWQOEVQNXCPULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-12-10-21-8-3-2-7-14(21)11-22(12)18(24)15-9-19-16(20-17(15)23)13-5-4-6-13/h9,12-14H,2-8,10-11H2,1H3,(H,19,20,23).
What are the key properties of 2-cyclobutyl-5-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-1H-pyrimidin-6-one?
2-cyclobutyl-5-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-1H-pyrimidin-6-one has a molecular weight of 330.43 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-5-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 167919806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).