2-(1-ethoxy-2,2-dimethylpropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid

C15H23N3O3 — CID 114743108

IUPAC2-(1-ethoxy-2,2-dimethylpropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid
SMILESCCOC(c1nc2c(c(C(=O)O)n1)CCNC2)C(C)(C)C
InChIInChI=1S/C15H23N3O3/c1-5-21-12(15(2,3)4)13-17-10-8-16-7-6-9(10)11(18-13)14(19)20/h12,16H,5-8H2,1-4H3,(H,19,20)
InChIKeyJLZRPYDVLNWEFT-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.94
Rot. Bonds4

About 2-(1-ethoxy-2,2-dimethylpropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid

2-(1-ethoxy-2,2-dimethylpropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid (PubChem CID 114743108) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-(1-ethoxy-2,2-dimethylpropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(1-ethoxy-2,2-dimethylpropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid
PubChem CID114743108
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-(1-ethoxy-2,2-dimethylpropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid
SMILESCCOC(c1nc2c(c(C(=O)O)n1)CCNC2)C(C)(C)C
InChIInChI=1S/C15H23N3O3/c1-5-21-12(15(2,3)4)13-17-10-8-16-7-6-9(10)11(18-13)14(19)20/h12,16H,5-8H2,1-4H3,(H,19,20)
InChIKeyJLZRPYDVLNWEFT-UHFFFAOYSA-N
XLogP1.94
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(1-ethoxy-2,2-dimethylpropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-methoxybutyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid
CID 114743065
methyl 2-(1-ethoxybutyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylate
CID 114741842
2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid
CID 103477309
2-(3-ethyl-4-pyridinyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid
CID 114742965
2-(2-phenylethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid
CID 114743002
2-(cyclopropylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid
CID 114743097
[2-(1-ethoxy-2,2-dimethylpropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine
CID 116730417
ethyl 2-butan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate
CID 114738102
2-(1-methylimidazol-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid
CID 114743078
2-(1-ethoxy-2,2-dimethylpropyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 116730068
2-(5-fluoro-2-methylphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid
CID 114743090
methyl 2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylate
CID 114741952

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxy-2,2-dimethylpropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid?
The IUPAC name of 2-(1-ethoxy-2,2-dimethylpropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid (CID 114743108) is 2-(1-ethoxy-2,2-dimethylpropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(1-ethoxy-2,2-dimethylpropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(1-ethoxy-2,2-dimethylpropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid is CCOC(c1nc2c(c(C(=O)O)n1)CCNC2)C(C)(C)C.
What is the InChIKey of 2-(1-ethoxy-2,2-dimethylpropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid?
The InChIKey is JLZRPYDVLNWEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-5-21-12(15(2,3)4)13-17-10-8-16-7-6-9(10)11(18-13)14(19)20/h12,16H,5-8H2,1-4H3,(H,19,20).
What are the key properties of 2-(1-ethoxy-2,2-dimethylpropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid?
2-(1-ethoxy-2,2-dimethylpropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid has a molecular weight of 293.37 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxy-2,2-dimethylpropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 114743108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).