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

C12H13N5O2 — CID 114738810

IUPAC2-(1-methylimidazol-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylic acid
SMILESCn1ccnc1-c1nc2c(c(C(=O)O)n1)CNCC2
InChIInChI=1S/C12H13N5O2/c1-17-5-4-14-11(17)10-15-8-2-3-13-6-7(8)9(16-10)12(18)19/h4-5,13H,2-3,6H2,1H3,(H,18,19)
InChIKeyQFXDLWYPBDPFPM-UHFFFAOYSA-N
MW259.27 g/mol
LogP0.22
Rot. Bonds2

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

2-(1-methylimidazol-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylic acid (PubChem CID 114738810) has the molecular formula C12H13N5O2 and a molecular weight of 259.27 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylic acid
PubChem CID114738810
Molecular FormulaC12H13N5O2
Molecular Weight259.27 g/mol
Exact Mass259.11
IUPAC Name2-(1-methylimidazol-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylic acid
SMILESCn1ccnc1-c1nc2c(c(C(=O)O)n1)CNCC2
InChIInChI=1S/C12H13N5O2/c1-17-5-4-14-11(17)10-15-8-2-3-13-6-7(8)9(16-10)12(18)19/h4-5,13H,2-3,6H2,1H3,(H,18,19)
InChIKeyQFXDLWYPBDPFPM-UHFFFAOYSA-N
XLogP0.22
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(1-methylimidazol-2-yl)-5,6,7,8-tetrahydropyrido[4,3-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

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylic acid?
The IUPAC name of 2-(1-methylimidazol-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylic acid (CID 114738810) is 2-(1-methylimidazol-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(1-methylimidazol-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylic acid is Cn1ccnc1-c1nc2c(c(C(=O)O)n1)CNCC2.
What is the InChIKey of 2-(1-methylimidazol-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylic acid?
The InChIKey is QFXDLWYPBDPFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2/c1-17-5-4-14-11(17)10-15-8-2-3-13-6-7(8)9(16-10)12(18)19/h4-5,13H,2-3,6H2,1H3,(H,18,19).
What are the key properties of 2-(1-methylimidazol-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylic acid?
2-(1-methylimidazol-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylic acid has a molecular weight of 259.27 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 114738810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).