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

C10H13N3O2 — CID 83916551

IUPAC7-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-4-carboxylic acid
SMILESCCN1CCc2c(ncnc2C(=O)O)C1
InChIInChI=1S/C10H13N3O2/c1-2-13-4-3-7-8(5-13)11-6-12-9(7)10(14)15/h6H,2-5H2,1H3,(H,14,15)
InChIKeyDQNMILNLMDQORO-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.55
Rot. Bonds2

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

7-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-4-carboxylic acid (PubChem CID 83916551) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 7-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name7-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-4-carboxylic acid
PubChem CID83916551
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name7-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-4-carboxylic acid
SMILESCCN1CCc2c(ncnc2C(=O)O)C1
InChIInChI=1S/C10H13N3O2/c1-2-13-4-3-7-8(5-13)11-6-12-9(7)10(14)15/h6H,2-5H2,1H3,(H,14,15)
InChIKeyDQNMILNLMDQORO-UHFFFAOYSA-N
XLogP0.55
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-4-carboxylic acid?
The IUPAC name of 7-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-4-carboxylic acid (CID 83916551) is 7-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 7-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-4-carboxylic acid?
The canonical SMILES for 7-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-4-carboxylic acid is CCN1CCc2c(ncnc2C(=O)O)C1.
What is the InChIKey of 7-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-4-carboxylic acid?
The InChIKey is DQNMILNLMDQORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-2-13-4-3-7-8(5-13)11-6-12-9(7)10(14)15/h6H,2-5H2,1H3,(H,14,15).
What are the key properties of 7-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-4-carboxylic acid?
7-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-4-carboxylic acid has a molecular weight of 207.23 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 83916551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).