2-(morpholin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one

C13H15N3O2 — CID 18087299

IUPAC2-(morpholin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CN2CCOCC2)nc2ccccn12
InChIInChI=1S/C13H15N3O2/c17-13-9-11(10-15-5-7-18-8-6-15)14-12-3-1-2-4-16(12)13/h1-4,9H,5-8,10H2
InChIKeyUVNQTMHQTWHQSA-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.53
Rot. Bonds2

About 2-(morpholin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one

2-(morpholin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 18087299) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-(morpholin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(morpholin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID18087299
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-(morpholin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CN2CCOCC2)nc2ccccn12
InChIInChI=1S/C13H15N3O2/c17-13-9-11(10-15-5-7-18-8-6-15)14-12-3-1-2-4-16(12)13/h1-4,9H,5-8,10H2
InChIKeyUVNQTMHQTWHQSA-UHFFFAOYSA-N
XLogP0.53
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(morpholin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(morpholin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one (CID 18087299) is 2-(morpholin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(morpholin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(morpholin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one is O=c1cc(CN2CCOCC2)nc2ccccn12.
What is the InChIKey of 2-(morpholin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is UVNQTMHQTWHQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c17-13-9-11(10-15-5-7-18-8-6-15)14-12-3-1-2-4-16(12)13/h1-4,9H,5-8,10H2.
What are the key properties of 2-(morpholin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
2-(morpholin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 245.28 g/mol, XLogP of 0.53, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 18087299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).