4-oxo-2-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-6-carboxylic acid

C12H16N2O3 — CID 83897077

IUPAC4-oxo-2-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-6-carboxylic acid
SMILESCC(C)c1cc(=O)n2c(n1)CCCC2C(=O)O
InChIInChI=1S/C12H16N2O3/c1-7(2)8-6-11(15)14-9(12(16)17)4-3-5-10(14)13-8/h6-7,9H,3-5H2,1-2H3,(H,16,17)
InChIKeyRACYLANQYDDPNJ-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.33
Rot. Bonds2

About 4-oxo-2-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-6-carboxylic acid

4-oxo-2-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-6-carboxylic acid (PubChem CID 83897077) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-oxo-2-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name4-oxo-2-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-6-carboxylic acid
PubChem CID83897077
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name4-oxo-2-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-6-carboxylic acid
SMILESCC(C)c1cc(=O)n2c(n1)CCCC2C(=O)O
InChIInChI=1S/C12H16N2O3/c1-7(2)8-6-11(15)14-9(12(16)17)4-3-5-10(14)13-8/h6-7,9H,3-5H2,1-2H3,(H,16,17)
InChIKeyRACYLANQYDDPNJ-UHFFFAOYSA-N
XLogP1.33
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 ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-6-carboxylic acid
CID 83883664
2-Ethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-6-carboxylic acid
CID 83890526
2-Cyclopropyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-6-carboxylic acid
CID 83896039
4-Oxo-2-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-8-carboxylic acid
CID 83897079

Frequently Asked Questions

What is the IUPAC name of 4-oxo-2-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 4-oxo-2-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-6-carboxylic acid (CID 83897077) is 4-oxo-2-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 4-oxo-2-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 4-oxo-2-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-6-carboxylic acid is CC(C)c1cc(=O)n2c(n1)CCCC2C(=O)O.
What is the InChIKey of 4-oxo-2-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-6-carboxylic acid?
The InChIKey is RACYLANQYDDPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-7(2)8-6-11(15)14-9(12(16)17)4-3-5-10(14)13-8/h6-7,9H,3-5H2,1-2H3,(H,16,17).
What are the key properties of 4-oxo-2-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-6-carboxylic acid?
4-oxo-2-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-6-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-2-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 83897077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).