2-[(oxolan-3-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one

C14H17N3O2 — CID 62670221

IUPAC2-[(oxolan-3-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CNCC2CCOC2)nc2ccccn12
InChIInChI=1S/C14H17N3O2/c18-14-7-12(9-15-8-11-4-6-19-10-11)16-13-3-1-2-5-17(13)14/h1-3,5,7,11,15H,4,6,8-10H2
InChIKeyMJTWJYRAFAUKCP-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.82
Rot. Bonds4

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

2-[(oxolan-3-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 62670221) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[(oxolan-3-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(oxolan-3-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID62670221
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-[(oxolan-3-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CNCC2CCOC2)nc2ccccn12
InChIInChI=1S/C14H17N3O2/c18-14-7-12(9-15-8-11-4-6-19-10-11)16-13-3-1-2-5-17(13)14/h1-3,5,7,11,15H,4,6,8-10H2
InChIKeyMJTWJYRAFAUKCP-UHFFFAOYSA-N
XLogP0.82
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(oxolan-3-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[(oxolan-3-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one (CID 62670221) is 2-[(oxolan-3-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[(oxolan-3-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[(oxolan-3-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one is O=c1cc(CNCC2CCOC2)nc2ccccn12.
What is the InChIKey of 2-[(oxolan-3-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is MJTWJYRAFAUKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c18-14-7-12(9-15-8-11-4-6-19-10-11)16-13-3-1-2-5-17(13)14/h1-3,5,7,11,15H,4,6,8-10H2.
What are the key properties of 2-[(oxolan-3-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[(oxolan-3-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 259.31 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(oxolan-3-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 62670221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).