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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Related Compounds

CID 18456522
CID 18456522
CID 138635934
CID 138635934
CID 138636045
CID 138636045
CID 163223046
CID 163223046
CID 163223212
CID 163223212
CID 83668190
CID 83668190
CID 83835414
CID 83835414
CID 83843446
CID 83843446
CID 90722410
CID 90722410
CID 91224308
CID 91224308
CID 105457618
CID 105457618
CID 105460816
CID 105460816

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).