2-(1-methyl-6-oxo-8-propan-2-yl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-9-yl)acetic acid

C14H20N2O3 — CID 82624654

IUPAC2-(1-methyl-6-oxo-8-propan-2-yl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-9-yl)acetic acid
SMILESCC(C)c1cc(=O)n2c(c1CC(=O)O)N(C)CCC2
InChIInChI=1S/C14H20N2O3/c1-9(2)10-7-12(17)16-6-4-5-15(3)14(16)11(10)8-13(18)19/h7,9H,4-6,8H2,1-3H3,(H,18,19)
InChIKeyPOPZNQLPMHAPCZ-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.44
Rot. Bonds3

About 2-(1-methyl-6-oxo-8-propan-2-yl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-9-yl)acetic acid

2-(1-methyl-6-oxo-8-propan-2-yl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-9-yl)acetic acid (PubChem CID 82624654) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-(1-methyl-6-oxo-8-propan-2-yl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-9-yl)acetic acid.

Molecular Properties

Compound Name2-(1-methyl-6-oxo-8-propan-2-yl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-9-yl)acetic acid
PubChem CID82624654
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-(1-methyl-6-oxo-8-propan-2-yl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-9-yl)acetic acid
SMILESCC(C)c1cc(=O)n2c(c1CC(=O)O)N(C)CCC2
InChIInChI=1S/C14H20N2O3/c1-9(2)10-7-12(17)16-6-4-5-15(3)14(16)11(10)8-13(18)19/h7,9H,4-6,8H2,1-3H3,(H,18,19)
InChIKeyPOPZNQLPMHAPCZ-UHFFFAOYSA-N
XLogP1.44
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-6-oxo-8-propan-2-yl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-9-yl)acetic acid?
The IUPAC name of 2-(1-methyl-6-oxo-8-propan-2-yl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-9-yl)acetic acid (CID 82624654) is 2-(1-methyl-6-oxo-8-propan-2-yl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-9-yl)acetic acid.
What is the SMILES notation for 2-(1-methyl-6-oxo-8-propan-2-yl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-9-yl)acetic acid?
The canonical SMILES for 2-(1-methyl-6-oxo-8-propan-2-yl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-9-yl)acetic acid is CC(C)c1cc(=O)n2c(c1CC(=O)O)N(C)CCC2.
What is the InChIKey of 2-(1-methyl-6-oxo-8-propan-2-yl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-9-yl)acetic acid?
The InChIKey is POPZNQLPMHAPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9(2)10-7-12(17)16-6-4-5-15(3)14(16)11(10)8-13(18)19/h7,9H,4-6,8H2,1-3H3,(H,18,19).
What are the key properties of 2-(1-methyl-6-oxo-8-propan-2-yl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-9-yl)acetic acid?
2-(1-methyl-6-oxo-8-propan-2-yl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-9-yl)acetic acid has a molecular weight of 264.32 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-6-oxo-8-propan-2-yl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-9-yl)acetic acid is sourced from PubChem (CID 82624654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).