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

C9H9N3O2 — CID 115018407

IUPAC3-amino-9-methoxypyrido[1,2-a]pyrimidin-4-one
SMILESCOc1cccn2c(=O)c(N)cnc12
InChIInChI=1S/C9H9N3O2/c1-14-7-3-2-4-12-8(7)11-5-6(10)9(12)13/h2-5H,10H2,1H3
InChIKeyFVEYKHZHTXXKHQ-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.29
Rot. Bonds1

About 3-amino-9-methoxypyrido[1,2-a]pyrimidin-4-one

3-amino-9-methoxypyrido[1,2-a]pyrimidin-4-one (PubChem CID 115018407) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 3-amino-9-methoxypyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-amino-9-methoxypyrido[1,2-a]pyrimidin-4-one
PubChem CID115018407
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name3-amino-9-methoxypyrido[1,2-a]pyrimidin-4-one
SMILESCOc1cccn2c(=O)c(N)cnc12
InChIInChI=1S/C9H9N3O2/c1-14-7-3-2-4-12-8(7)11-5-6(10)9(12)13/h2-5H,10H2,1H3
InChIKeyFVEYKHZHTXXKHQ-UHFFFAOYSA-N
XLogP0.29
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-9-methoxypyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-amino-9-methoxypyrido[1,2-a]pyrimidin-4-one (CID 115018407) is 3-amino-9-methoxypyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-amino-9-methoxypyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-amino-9-methoxypyrido[1,2-a]pyrimidin-4-one is COc1cccn2c(=O)c(N)cnc12.
What is the InChIKey of 3-amino-9-methoxypyrido[1,2-a]pyrimidin-4-one?
The InChIKey is FVEYKHZHTXXKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-14-7-3-2-4-12-8(7)11-5-6(10)9(12)13/h2-5H,10H2,1H3.
What are the key properties of 3-amino-9-methoxypyrido[1,2-a]pyrimidin-4-one?
3-amino-9-methoxypyrido[1,2-a]pyrimidin-4-one has a molecular weight of 191.19 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-9-methoxypyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 115018407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).