3-acetyl-2-amino-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

C10H13N3O2 — CID 34851988

IUPAC3-acetyl-2-amino-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCC(=O)c1c(N)nc2n(c1=O)CCCC2
InChIInChI=1S/C10H13N3O2/c1-6(14)8-9(11)12-7-4-2-3-5-13(7)10(8)15/h2-5,11H2,1H3
InChIKeyBRXSUOLYZMQIJQ-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.36
Rot. Bonds1

About 3-acetyl-2-amino-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

3-acetyl-2-amino-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 34851988) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 3-acetyl-2-amino-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-acetyl-2-amino-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
PubChem CID34851988
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name3-acetyl-2-amino-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCC(=O)c1c(N)nc2n(c1=O)CCCC2
InChIInChI=1S/C10H13N3O2/c1-6(14)8-9(11)12-7-4-2-3-5-13(7)10(8)15/h2-5,11H2,1H3
InChIKeyBRXSUOLYZMQIJQ-UHFFFAOYSA-N
XLogP0.36
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-2-amino-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-acetyl-2-amino-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (CID 34851988) is 3-acetyl-2-amino-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-acetyl-2-amino-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-acetyl-2-amino-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is CC(=O)c1c(N)nc2n(c1=O)CCCC2.
What is the InChIKey of 3-acetyl-2-amino-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is BRXSUOLYZMQIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-6(14)8-9(11)12-7-4-2-3-5-13(7)10(8)15/h2-5,11H2,1H3.
What are the key properties of 3-acetyl-2-amino-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
3-acetyl-2-amino-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 207.23 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-2-amino-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 34851988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).