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

C15H15N3O2 — CID 114738775

IUPAC2-(3-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylic acid
SMILESCc1cccc(-c2nc3c(c(C(=O)O)n2)CNCC3)c1
InChIInChI=1S/C15H15N3O2/c1-9-3-2-4-10(7-9)14-17-12-5-6-16-8-11(12)13(18-14)15(19)20/h2-4,7,16H,5-6,8H2,1H3,(H,19,20)
InChIKeyKPCHJSLJIKHZKU-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.80
Rot. Bonds2

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

2-(3-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylic acid (PubChem CID 114738775) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-(3-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylic acid
PubChem CID114738775
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name2-(3-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylic acid
SMILESCc1cccc(-c2nc3c(c(C(=O)O)n2)CNCC3)c1
InChIInChI=1S/C15H15N3O2/c1-9-3-2-4-10(7-9)14-17-12-5-6-16-8-11(12)13(18-14)15(19)20/h2-4,7,16H,5-6,8H2,1H3,(H,19,20)
InChIKeyKPCHJSLJIKHZKU-UHFFFAOYSA-N
XLogP1.80
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylic acid?
The IUPAC name of 2-(3-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylic acid (CID 114738775) is 2-(3-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(3-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(3-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylic acid is Cc1cccc(-c2nc3c(c(C(=O)O)n2)CNCC3)c1.
What is the InChIKey of 2-(3-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylic acid?
The InChIKey is KPCHJSLJIKHZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-9-3-2-4-10(7-9)14-17-12-5-6-16-8-11(12)13(18-14)15(19)20/h2-4,7,16H,5-6,8H2,1H3,(H,19,20).
What are the key properties of 2-(3-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylic acid?
2-(3-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylic acid has a molecular weight of 269.30 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 114738775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).