9-amino-2-cyclopropylpyrido[1,2-a]pyrimidin-4-one

C11H11N3O — CID 83880937

IUPAC9-amino-2-cyclopropylpyrido[1,2-a]pyrimidin-4-one
SMILESNc1cccn2c(=O)cc(C3CC3)nc12
InChIInChI=1S/C11H11N3O/c12-8-2-1-5-14-10(15)6-9(7-3-4-7)13-11(8)14/h1-2,5-7H,3-4,12H2
InChIKeyKQHHTLKZFGCCFO-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.15
Rot. Bonds1

About 9-amino-2-cyclopropylpyrido[1,2-a]pyrimidin-4-one

9-amino-2-cyclopropylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 83880937) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 9-amino-2-cyclopropylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-amino-2-cyclopropylpyrido[1,2-a]pyrimidin-4-one
PubChem CID83880937
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name9-amino-2-cyclopropylpyrido[1,2-a]pyrimidin-4-one
SMILESNc1cccn2c(=O)cc(C3CC3)nc12
InChIInChI=1S/C11H11N3O/c12-8-2-1-5-14-10(15)6-9(7-3-4-7)13-11(8)14/h1-2,5-7H,3-4,12H2
InChIKeyKQHHTLKZFGCCFO-UHFFFAOYSA-N
XLogP1.15
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-amino-2-cyclopropylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-amino-2-cyclopropylpyrido[1,2-a]pyrimidin-4-one (CID 83880937) is 9-amino-2-cyclopropylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-amino-2-cyclopropylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-amino-2-cyclopropylpyrido[1,2-a]pyrimidin-4-one is Nc1cccn2c(=O)cc(C3CC3)nc12.
What is the InChIKey of 9-amino-2-cyclopropylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is KQHHTLKZFGCCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c12-8-2-1-5-14-10(15)6-9(7-3-4-7)13-11(8)14/h1-2,5-7H,3-4,12H2.
What are the key properties of 9-amino-2-cyclopropylpyrido[1,2-a]pyrimidin-4-one?
9-amino-2-cyclopropylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 201.23 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-2-cyclopropylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 83880937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).