4-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid

C9H11N3O3 — CID 90722410

IUPAC4-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid
SMILESCOc1ncnc2c1CCN(C(=O)O)C2
InChIInChI=1S/C9H11N3O3/c1-15-8-6-2-3-12(9(13)14)4-7(6)10-5-11-8/h5H,2-4H2,1H3,(H,13,14)
InChIKeyVYYKDUNUJOUMOP-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.52
Rot. Bonds1

About 4-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid

4-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid (PubChem CID 90722410) has the molecular formula C9H11N3O3 and a molecular weight of 209.20 g/mol. Its IUPAC name is 4-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid
PubChem CID90722410
Molecular FormulaC9H11N3O3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Name4-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid
SMILESCOc1ncnc2c1CCN(C(=O)O)C2
InChIInChI=1S/C9H11N3O3/c1-15-8-6-2-3-12(9(13)14)4-7(6)10-5-11-8/h5H,2-4H2,1H3,(H,13,14)
InChIKeyVYYKDUNUJOUMOP-UHFFFAOYSA-N
XLogP0.52
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid?
The IUPAC name of 4-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid (CID 90722410) is 4-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 4-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid?
The canonical SMILES for 4-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid is COc1ncnc2c1CCN(C(=O)O)C2.
What is the InChIKey of 4-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid?
The InChIKey is VYYKDUNUJOUMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c1-15-8-6-2-3-12(9(13)14)4-7(6)10-5-11-8/h5H,2-4H2,1H3,(H,13,14).
What are the key properties of 4-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid?
4-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid has a molecular weight of 209.20 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 90722410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).