3-[3-(6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl)-3-oxopropyl]pyrimidin-4-one

C15H22N4O3 — CID 128528117

IUPAC3-[3-(6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl)-3-oxopropyl]pyrimidin-4-one
SMILESCN1CCC2OCCN(C(=O)CCn3cnccc3=O)C2C1
InChIInChI=1S/C15H22N4O3/c1-17-6-3-13-12(10-17)19(8-9-22-13)15(21)4-7-18-11-16-5-2-14(18)20/h2,5,11-13H,3-4,6-10H2,1H3
InChIKeyXUKJHDDJJDXSAY-UHFFFAOYSA-N
MW306.37 g/mol
LogP-0.44
Rot. Bonds3

About 3-[3-(6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl)-3-oxopropyl]pyrimidin-4-one

3-[3-(6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl)-3-oxopropyl]pyrimidin-4-one (PubChem CID 128528117) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 3-[3-(6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl)-3-oxopropyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[3-(6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl)-3-oxopropyl]pyrimidin-4-one
PubChem CID128528117
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name3-[3-(6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl)-3-oxopropyl]pyrimidin-4-one
SMILESCN1CCC2OCCN(C(=O)CCn3cnccc3=O)C2C1
InChIInChI=1S/C15H22N4O3/c1-17-6-3-13-12(10-17)19(8-9-22-13)15(21)4-7-18-11-16-5-2-14(18)20/h2,5,11-13H,3-4,6-10H2,1H3
InChIKeyXUKJHDDJJDXSAY-UHFFFAOYSA-N
XLogP-0.44
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 5-0.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[3-(6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl)-3-oxopropyl]pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl)-3-oxopropyl]pyrimidin-4-one?
The IUPAC name of 3-[3-(6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl)-3-oxopropyl]pyrimidin-4-one (CID 128528117) is 3-[3-(6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl)-3-oxopropyl]pyrimidin-4-one.
What is the SMILES notation for 3-[3-(6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl)-3-oxopropyl]pyrimidin-4-one?
The canonical SMILES for 3-[3-(6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl)-3-oxopropyl]pyrimidin-4-one is CN1CCC2OCCN(C(=O)CCn3cnccc3=O)C2C1.
What is the InChIKey of 3-[3-(6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl)-3-oxopropyl]pyrimidin-4-one?
The InChIKey is XUKJHDDJJDXSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-17-6-3-13-12(10-17)19(8-9-22-13)15(21)4-7-18-11-16-5-2-14(18)20/h2,5,11-13H,3-4,6-10H2,1H3.
What are the key properties of 3-[3-(6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl)-3-oxopropyl]pyrimidin-4-one?
3-[3-(6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl)-3-oxopropyl]pyrimidin-4-one has a molecular weight of 306.37 g/mol, XLogP of -0.44, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl)-3-oxopropyl]pyrimidin-4-one is sourced from PubChem (CID 128528117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).