3-(aminomethyl)-9-hydroxypyrido[1,2-a]pyrimidin-4-one

C9H9N3O2 — CID 59256549

IUPAC3-(aminomethyl)-9-hydroxypyrido[1,2-a]pyrimidin-4-one
SMILESNCc1cnc2c(O)cccn2c1=O
InChIInChI=1S/C9H9N3O2/c10-4-6-5-11-8-7(13)2-1-3-12(8)9(6)14/h1-3,5,13H,4,10H2
InChIKeyKEIMBXSBCLPXDH-UHFFFAOYSA-N
MW191.19 g/mol
LogP-0.14
Rot. Bonds1

About 3-(aminomethyl)-9-hydroxypyrido[1,2-a]pyrimidin-4-one

3-(aminomethyl)-9-hydroxypyrido[1,2-a]pyrimidin-4-one (PubChem CID 59256549) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 3-(aminomethyl)-9-hydroxypyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-(aminomethyl)-9-hydroxypyrido[1,2-a]pyrimidin-4-one
PubChem CID59256549
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name3-(aminomethyl)-9-hydroxypyrido[1,2-a]pyrimidin-4-one
SMILESNCc1cnc2c(O)cccn2c1=O
InChIInChI=1S/C9H9N3O2/c10-4-6-5-11-8-7(13)2-1-3-12(8)9(6)14/h1-3,5,13H,4,10H2
InChIKeyKEIMBXSBCLPXDH-UHFFFAOYSA-N
XLogP-0.14
TPSA80.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-9-hydroxypyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-(aminomethyl)-9-hydroxypyrido[1,2-a]pyrimidin-4-one (CID 59256549) is 3-(aminomethyl)-9-hydroxypyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-(aminomethyl)-9-hydroxypyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-(aminomethyl)-9-hydroxypyrido[1,2-a]pyrimidin-4-one is NCc1cnc2c(O)cccn2c1=O.
What is the InChIKey of 3-(aminomethyl)-9-hydroxypyrido[1,2-a]pyrimidin-4-one?
The InChIKey is KEIMBXSBCLPXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c10-4-6-5-11-8-7(13)2-1-3-12(8)9(6)14/h1-3,5,13H,4,10H2.
What are the key properties of 3-(aminomethyl)-9-hydroxypyrido[1,2-a]pyrimidin-4-one?
3-(aminomethyl)-9-hydroxypyrido[1,2-a]pyrimidin-4-one has a molecular weight of 191.19 g/mol, XLogP of -0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-9-hydroxypyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 59256549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).