2-[1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)cyclopropyl]pyrimidine-5-carboxylic acid

C22H26N2O2 — CID 135239959

IUPAC2-[1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)cyclopropyl]pyrimidine-5-carboxylic acid
SMILESCc1cc2c(cc1C1(c3ncc(C(=O)O)cn3)CC1)C(C)(C)CC2(C)C
InChIInChI=1S/C22H26N2O2/c1-13-8-16-17(21(4,5)12-20(16,2)3)9-15(13)22(6-7-22)19-23-10-14(11-24-19)18(25)26/h8-11H,6-7,12H2,1-5H3,(H,25,26)
InChIKeyFIQAKXPEABOYAL-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.52
Rot. Bonds3

About 2-[1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)cyclopropyl]pyrimidine-5-carboxylic acid

2-[1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)cyclopropyl]pyrimidine-5-carboxylic acid (PubChem CID 135239959) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 2-[1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)cyclopropyl]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-[1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)cyclopropyl]pyrimidine-5-carboxylic acid
PubChem CID135239959
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name2-[1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)cyclopropyl]pyrimidine-5-carboxylic acid
SMILESCc1cc2c(cc1C1(c3ncc(C(=O)O)cn3)CC1)C(C)(C)CC2(C)C
InChIInChI=1S/C22H26N2O2/c1-13-8-16-17(21(4,5)12-20(16,2)3)9-15(13)22(6-7-22)19-23-10-14(11-24-19)18(25)26/h8-11H,6-7,12H2,1-5H3,(H,25,26)
InChIKeyFIQAKXPEABOYAL-UHFFFAOYSA-N
XLogP4.52
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)cyclopropyl]pyrimidine-5-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-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)cyclopropyl]pyrimidine-5-carboxylic acid?
The IUPAC name of 2-[1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)cyclopropyl]pyrimidine-5-carboxylic acid (CID 135239959) is 2-[1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)cyclopropyl]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-[1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)cyclopropyl]pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-[1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)cyclopropyl]pyrimidine-5-carboxylic acid is Cc1cc2c(cc1C1(c3ncc(C(=O)O)cn3)CC1)C(C)(C)CC2(C)C.
What is the InChIKey of 2-[1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)cyclopropyl]pyrimidine-5-carboxylic acid?
The InChIKey is FIQAKXPEABOYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-13-8-16-17(21(4,5)12-20(16,2)3)9-15(13)22(6-7-22)19-23-10-14(11-24-19)18(25)26/h8-11H,6-7,12H2,1-5H3,(H,25,26).
What are the key properties of 2-[1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)cyclopropyl]pyrimidine-5-carboxylic acid?
2-[1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)cyclopropyl]pyrimidine-5-carboxylic acid has a molecular weight of 350.46 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)cyclopropyl]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 135239959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).