5-(2-methylpropyl)pyrimidine-2-carboxylic acid

C9H12N2O2 — CID 84732267

IUPAC5-(2-methylpropyl)pyrimidine-2-carboxylic acid
SMILESCC(C)Cc1cnc(C(=O)O)nc1
InChIInChI=1S/C9H12N2O2/c1-6(2)3-7-4-10-8(9(12)13)11-5-7/h4-6H,3H2,1-2H3,(H,12,13)
InChIKeyMKCKCXYWYNHCHY-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.37
Rot. Bonds3

About 5-(2-methylpropyl)pyrimidine-2-carboxylic acid

5-(2-methylpropyl)pyrimidine-2-carboxylic acid (PubChem CID 84732267) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 5-(2-methylpropyl)pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-methylpropyl)pyrimidine-2-carboxylic acid
PubChem CID84732267
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name5-(2-methylpropyl)pyrimidine-2-carboxylic acid
SMILESCC(C)Cc1cnc(C(=O)O)nc1
InChIInChI=1S/C9H12N2O2/c1-6(2)3-7-4-10-8(9(12)13)11-5-7/h4-6H,3H2,1-2H3,(H,12,13)
InChIKeyMKCKCXYWYNHCHY-UHFFFAOYSA-N
XLogP1.37
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)pyrimidine-2-carboxylic acid?
The IUPAC name of 5-(2-methylpropyl)pyrimidine-2-carboxylic acid (CID 84732267) is 5-(2-methylpropyl)pyrimidine-2-carboxylic acid.
What is the SMILES notation for 5-(2-methylpropyl)pyrimidine-2-carboxylic acid?
The canonical SMILES for 5-(2-methylpropyl)pyrimidine-2-carboxylic acid is CC(C)Cc1cnc(C(=O)O)nc1.
What is the InChIKey of 5-(2-methylpropyl)pyrimidine-2-carboxylic acid?
The InChIKey is MKCKCXYWYNHCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-6(2)3-7-4-10-8(9(12)13)11-5-7/h4-6H,3H2,1-2H3,(H,12,13).
What are the key properties of 5-(2-methylpropyl)pyrimidine-2-carboxylic acid?
5-(2-methylpropyl)pyrimidine-2-carboxylic acid has a molecular weight of 180.21 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)pyrimidine-2-carboxylic acid is sourced from PubChem (CID 84732267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).