2-[(oxan-3-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one

C14H17N3O2 — CID 55188776

IUPAC2-[(oxan-3-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CNC2CCCOC2)nc2ccccn12
InChIInChI=1S/C14H17N3O2/c18-14-8-12(9-15-11-4-3-7-19-10-11)16-13-5-1-2-6-17(13)14/h1-2,5-6,8,11,15H,3-4,7,9-10H2
InChIKeyLDFJUAQADCKSAK-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.96
Rot. Bonds3

About 2-[(oxan-3-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one

2-[(oxan-3-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 55188776) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[(oxan-3-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(oxan-3-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID55188776
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-[(oxan-3-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CNC2CCCOC2)nc2ccccn12
InChIInChI=1S/C14H17N3O2/c18-14-8-12(9-15-11-4-3-7-19-10-11)16-13-5-1-2-6-17(13)14/h1-2,5-6,8,11,15H,3-4,7,9-10H2
InChIKeyLDFJUAQADCKSAK-UHFFFAOYSA-N
XLogP0.96
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(oxan-3-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[(oxan-3-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one (CID 55188776) is 2-[(oxan-3-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[(oxan-3-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[(oxan-3-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one is O=c1cc(CNC2CCCOC2)nc2ccccn12.
What is the InChIKey of 2-[(oxan-3-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is LDFJUAQADCKSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c18-14-8-12(9-15-11-4-3-7-19-10-11)16-13-5-1-2-6-17(13)14/h1-2,5-6,8,11,15H,3-4,7,9-10H2.
What are the key properties of 2-[(oxan-3-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[(oxan-3-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 259.31 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(oxan-3-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 55188776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).