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

C9H9N3O — CID 47003241

IUPAC2-(aminomethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESNCc1cc(=O)n2ccccc2n1
InChIInChI=1S/C9H9N3O/c10-6-7-5-9(13)12-4-2-1-3-8(12)11-7/h1-5H,6,10H2
InChIKeyQZENZOKMVUQPGC-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.15
Rot. Bonds1

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

2-(aminomethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 47003241) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 2-(aminomethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(aminomethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID47003241
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name2-(aminomethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESNCc1cc(=O)n2ccccc2n1
InChIInChI=1S/C9H9N3O/c10-6-7-5-9(13)12-4-2-1-3-8(12)11-7/h1-5H,6,10H2
InChIKeyQZENZOKMVUQPGC-UHFFFAOYSA-N
XLogP0.15
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(aminomethyl)pyrido[1,2-a]pyrimidin-4-one (CID 47003241) is 2-(aminomethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(aminomethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(aminomethyl)pyrido[1,2-a]pyrimidin-4-one is NCc1cc(=O)n2ccccc2n1.
What is the InChIKey of 2-(aminomethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is QZENZOKMVUQPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c10-6-7-5-9(13)12-4-2-1-3-8(12)11-7/h1-5H,6,10H2.
What are the key properties of 2-(aminomethyl)pyrido[1,2-a]pyrimidin-4-one?
2-(aminomethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 175.19 g/mol, XLogP of 0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 47003241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).