2-[(oxan-4-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one

C15H19N3O2 — CID 63712200

IUPAC2-[(oxan-4-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CNCC2CCOCC2)nc2ccccn12
InChIInChI=1S/C15H19N3O2/c19-15-9-13(17-14-3-1-2-6-18(14)15)11-16-10-12-4-7-20-8-5-12/h1-3,6,9,12,16H,4-5,7-8,10-11H2
InChIKeyMUTXCQSRBXSFNW-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.21
Rot. Bonds4

About 2-[(oxan-4-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one

2-[(oxan-4-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 63712200) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[(oxan-4-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(oxan-4-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID63712200
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-[(oxan-4-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CNCC2CCOCC2)nc2ccccn12
InChIInChI=1S/C15H19N3O2/c19-15-9-13(17-14-3-1-2-6-18(14)15)11-16-10-12-4-7-20-8-5-12/h1-3,6,9,12,16H,4-5,7-8,10-11H2
InChIKeyMUTXCQSRBXSFNW-UHFFFAOYSA-N
XLogP1.21
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(oxan-4-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[(oxan-4-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one (CID 63712200) is 2-[(oxan-4-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[(oxan-4-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[(oxan-4-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one is O=c1cc(CNCC2CCOCC2)nc2ccccn12.
What is the InChIKey of 2-[(oxan-4-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is MUTXCQSRBXSFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c19-15-9-13(17-14-3-1-2-6-18(14)15)11-16-10-12-4-7-20-8-5-12/h1-3,6,9,12,16H,4-5,7-8,10-11H2.
What are the key properties of 2-[(oxan-4-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[(oxan-4-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 273.34 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(oxan-4-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 63712200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).