2-cyclopropyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylic acid

C11H13N3O3 — CID 138636040

IUPAC2-cyclopropyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylic acid
SMILESO=C(O)N1CCc2c(nc(C3CC3)[nH]c2=O)C1
InChIInChI=1S/C11H13N3O3/c15-10-7-3-4-14(11(16)17)5-8(7)12-9(13-10)6-1-2-6/h6H,1-5H2,(H,16,17)(H,12,13,15)
InChIKeyOMCBCEBDDDYOIK-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.68
Rot. Bonds1

About 2-cyclopropyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylic acid

2-cyclopropyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylic acid (PubChem CID 138636040) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 2-cyclopropyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylic acid
PubChem CID138636040
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name2-cyclopropyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylic acid
SMILESO=C(O)N1CCc2c(nc(C3CC3)[nH]c2=O)C1
InChIInChI=1S/C11H13N3O3/c15-10-7-3-4-14(11(16)17)5-8(7)12-9(13-10)6-1-2-6/h6H,1-5H2,(H,16,17)(H,12,13,15)
InChIKeyOMCBCEBDDDYOIK-UHFFFAOYSA-N
XLogP0.68
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylic acid?
The IUPAC name of 2-cyclopropyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylic acid (CID 138636040) is 2-cyclopropyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylic acid is O=C(O)N1CCc2c(nc(C3CC3)[nH]c2=O)C1.
What is the InChIKey of 2-cyclopropyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylic acid?
The InChIKey is OMCBCEBDDDYOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c15-10-7-3-4-14(11(16)17)5-8(7)12-9(13-10)6-1-2-6/h6H,1-5H2,(H,16,17)(H,12,13,15).
What are the key properties of 2-cyclopropyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylic acid?
2-cyclopropyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylic acid has a molecular weight of 235.24 g/mol, XLogP of 0.68, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 138636040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).