2-(2,6-dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)acetic acid

C12H16N2O3 — CID 12559596

IUPAC2-(2,6-dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)acetic acid
SMILESCc1cc(=O)n2c(n1)C(CC(=O)O)CCC2C
InChIInChI=1S/C12H16N2O3/c1-7-5-10(15)14-8(2)3-4-9(6-11(16)17)12(14)13-7/h5,8-9H,3-4,6H2,1-2H3,(H,16,17)
InChIKeyKDOCTPPPRHKKFV-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.46
Rot. Bonds2

About 2-(2,6-dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)acetic acid

2-(2,6-dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)acetic acid (PubChem CID 12559596) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-(2,6-dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)acetic acid.

Molecular Properties

Compound Name2-(2,6-dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)acetic acid
PubChem CID12559596
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2-(2,6-dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)acetic acid
SMILESCc1cc(=O)n2c(n1)C(CC(=O)O)CCC2C
InChIInChI=1S/C12H16N2O3/c1-7-5-10(15)14-8(2)3-4-9(6-11(16)17)12(14)13-7/h5,8-9H,3-4,6H2,1-2H3,(H,16,17)
InChIKeyKDOCTPPPRHKKFV-UHFFFAOYSA-N
XLogP1.46
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)acetic acid?
The IUPAC name of 2-(2,6-dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)acetic acid (CID 12559596) is 2-(2,6-dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)acetic acid.
What is the SMILES notation for 2-(2,6-dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)acetic acid?
The canonical SMILES for 2-(2,6-dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)acetic acid is Cc1cc(=O)n2c(n1)C(CC(=O)O)CCC2C.
What is the InChIKey of 2-(2,6-dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)acetic acid?
The InChIKey is KDOCTPPPRHKKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-7-5-10(15)14-8(2)3-4-9(6-11(16)17)12(14)13-7/h5,8-9H,3-4,6H2,1-2H3,(H,16,17).
What are the key properties of 2-(2,6-dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)acetic acid?
2-(2,6-dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)acetic acid has a molecular weight of 236.27 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)acetic acid is sourced from PubChem (CID 12559596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).