2-[(2-ethylmorpholin-4-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

C16H21N3O2 — CID 167279659

IUPAC2-[(2-ethylmorpholin-4-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCCC1CN(Cc2cc(=O)n3cc(C)ccc3n2)CCO1
InChIInChI=1S/C16H21N3O2/c1-3-14-11-18(6-7-21-14)10-13-8-16(20)19-9-12(2)4-5-15(19)17-13/h4-5,8-9,14H,3,6-7,10-11H2,1-2H3
InChIKeyHLQHPFQZFOAPPE-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.61
Rot. Bonds3

About 2-[(2-ethylmorpholin-4-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

2-[(2-ethylmorpholin-4-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 167279659) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[(2-ethylmorpholin-4-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(2-ethylmorpholin-4-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID167279659
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-[(2-ethylmorpholin-4-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCCC1CN(Cc2cc(=O)n3cc(C)ccc3n2)CCO1
InChIInChI=1S/C16H21N3O2/c1-3-14-11-18(6-7-21-14)10-13-8-16(20)19-9-12(2)4-5-15(19)17-13/h4-5,8-9,14H,3,6-7,10-11H2,1-2H3
InChIKeyHLQHPFQZFOAPPE-UHFFFAOYSA-N
XLogP1.61
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylmorpholin-4-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[(2-ethylmorpholin-4-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (CID 167279659) is 2-[(2-ethylmorpholin-4-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[(2-ethylmorpholin-4-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[(2-ethylmorpholin-4-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is CCC1CN(Cc2cc(=O)n3cc(C)ccc3n2)CCO1.
What is the InChIKey of 2-[(2-ethylmorpholin-4-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is HLQHPFQZFOAPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-3-14-11-18(6-7-21-14)10-13-8-16(20)19-9-12(2)4-5-15(19)17-13/h4-5,8-9,14H,3,6-7,10-11H2,1-2H3.
What are the key properties of 2-[(2-ethylmorpholin-4-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
2-[(2-ethylmorpholin-4-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 287.36 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylmorpholin-4-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 167279659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).