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

C8H9N3O2 — CID 69267481

IUPAC5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid
SMILESO=C(O)c1ncnc2c1CCNC2
InChIInChI=1S/C8H9N3O2/c12-8(13)7-5-1-2-9-3-6(5)10-4-11-7/h4,9H,1-3H2,(H,12,13)
InChIKeyUJNJQOBZSBEWBW-UHFFFAOYSA-N
MW179.18 g/mol
LogP-0.18
Rot. Bonds1

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

5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid (PubChem CID 69267481) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid
PubChem CID69267481
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Name5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid
SMILESO=C(O)c1ncnc2c1CCNC2
InChIInChI=1S/C8H9N3O2/c12-8(13)7-5-1-2-9-3-6(5)10-4-11-7/h4,9H,1-3H2,(H,12,13)
InChIKeyUJNJQOBZSBEWBW-UHFFFAOYSA-N
XLogP-0.18
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid?
The IUPAC name of 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid (CID 69267481) is 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid?
The canonical SMILES for 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid is O=C(O)c1ncnc2c1CCNC2.
What is the InChIKey of 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid?
The InChIKey is UJNJQOBZSBEWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c12-8(13)7-5-1-2-9-3-6(5)10-4-11-7/h4,9H,1-3H2,(H,12,13).
What are the key properties of 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid?
5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid has a molecular weight of 179.18 g/mol, XLogP of -0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 69267481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).