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

C9H13N3O — CID 83875167

IUPAC9-amino-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(=O)n2c(n1)C(N)CCC2
InChIInChI=1S/C9H13N3O/c1-6-5-8(13)12-4-2-3-7(10)9(12)11-6/h5,7H,2-4,10H2,1H3
InChIKeyDTPNLKDUPDJTNT-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.35
Rot. Bonds

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

9-amino-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 83875167) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 9-amino-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-amino-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
PubChem CID83875167
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name9-amino-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(=O)n2c(n1)C(N)CCC2
InChIInChI=1S/C9H13N3O/c1-6-5-8(13)12-4-2-3-7(10)9(12)11-6/h5,7H,2-4,10H2,1H3
InChIKeyDTPNLKDUPDJTNT-UHFFFAOYSA-N
XLogP0.35
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-amino-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-amino-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (CID 83875167) is 9-amino-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-amino-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-amino-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is Cc1cc(=O)n2c(n1)C(N)CCC2.
What is the InChIKey of 9-amino-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is DTPNLKDUPDJTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-6-5-8(13)12-4-2-3-7(10)9(12)11-6/h5,7H,2-4,10H2,1H3.
What are the key properties of 9-amino-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
9-amino-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 179.22 g/mol, XLogP of 0.35, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 83875167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).