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

C12H15N3O3 — CID 138635982

IUPAC2-cyclopropyl-4-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid
SMILESCOc1nc(C2CC2)nc2c1CCN(C(=O)O)C2
InChIInChI=1S/C12H15N3O3/c1-18-11-8-4-5-15(12(16)17)6-9(8)13-10(14-11)7-2-3-7/h7H,2-6H2,1H3,(H,16,17)
InChIKeyVQKUSLSGYRCZML-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.40
Rot. Bonds2

About 2-cyclopropyl-4-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid

2-cyclopropyl-4-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid (PubChem CID 138635982) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-cyclopropyl-4-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-4-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid
PubChem CID138635982
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name2-cyclopropyl-4-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid
SMILESCOc1nc(C2CC2)nc2c1CCN(C(=O)O)C2
InChIInChI=1S/C12H15N3O3/c1-18-11-8-4-5-15(12(16)17)6-9(8)13-10(14-11)7-2-3-7/h7H,2-6H2,1H3,(H,16,17)
InChIKeyVQKUSLSGYRCZML-UHFFFAOYSA-N
XLogP1.40
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid?
The IUPAC name of 2-cyclopropyl-4-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid (CID 138635982) is 2-cyclopropyl-4-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-4-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-4-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid is COc1nc(C2CC2)nc2c1CCN(C(=O)O)C2.
What is the InChIKey of 2-cyclopropyl-4-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid?
The InChIKey is VQKUSLSGYRCZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-18-11-8-4-5-15(12(16)17)6-9(8)13-10(14-11)7-2-3-7/h7H,2-6H2,1H3,(H,16,17).
What are the key properties of 2-cyclopropyl-4-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid?
2-cyclopropyl-4-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid has a molecular weight of 249.27 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 138635982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).