2-[(3-hydroxypyrrolidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one

C13H15N3O2 — CID 55130778

IUPAC2-[(3-hydroxypyrrolidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CN2CCC(O)C2)nc2ccccn12
InChIInChI=1S/C13H15N3O2/c17-11-4-6-15(9-11)8-10-7-13(18)16-5-2-1-3-12(16)14-10/h1-3,5,7,11,17H,4,6,8-9H2
InChIKeyXMAHOLUZNMNDQP-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.26
Rot. Bonds2

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

2-[(3-hydroxypyrrolidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 55130778) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-[(3-hydroxypyrrolidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(3-hydroxypyrrolidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID55130778
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-[(3-hydroxypyrrolidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CN2CCC(O)C2)nc2ccccn12
InChIInChI=1S/C13H15N3O2/c17-11-4-6-15(9-11)8-10-7-13(18)16-5-2-1-3-12(16)14-10/h1-3,5,7,11,17H,4,6,8-9H2
InChIKeyXMAHOLUZNMNDQP-UHFFFAOYSA-N
XLogP0.26
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxypyrrolidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[(3-hydroxypyrrolidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one (CID 55130778) is 2-[(3-hydroxypyrrolidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[(3-hydroxypyrrolidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[(3-hydroxypyrrolidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one is O=c1cc(CN2CCC(O)C2)nc2ccccn12.
What is the InChIKey of 2-[(3-hydroxypyrrolidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is XMAHOLUZNMNDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c17-11-4-6-15(9-11)8-10-7-13(18)16-5-2-1-3-12(16)14-10/h1-3,5,7,11,17H,4,6,8-9H2.
What are the key properties of 2-[(3-hydroxypyrrolidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[(3-hydroxypyrrolidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 245.28 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxypyrrolidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 55130778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).