2-(2-methylpropyl)pyrimidine-4-carboxylic acid

C9H12N2O2 — CID 62749024

IUPAC2-(2-methylpropyl)pyrimidine-4-carboxylic acid
SMILESCC(C)Cc1nccc(C(=O)O)n1
InChIInChI=1S/C9H12N2O2/c1-6(2)5-8-10-4-3-7(11-8)9(12)13/h3-4,6H,5H2,1-2H3,(H,12,13)
InChIKeyCZYBCSMOSQTNBG-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.37
Rot. Bonds3

About 2-(2-methylpropyl)pyrimidine-4-carboxylic acid

2-(2-methylpropyl)pyrimidine-4-carboxylic acid (PubChem CID 62749024) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-(2-methylpropyl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylpropyl)pyrimidine-4-carboxylic acid
PubChem CID62749024
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-(2-methylpropyl)pyrimidine-4-carboxylic acid
SMILESCC(C)Cc1nccc(C(=O)O)n1
InChIInChI=1S/C9H12N2O2/c1-6(2)5-8-10-4-3-7(11-8)9(12)13/h3-4,6H,5H2,1-2H3,(H,12,13)
InChIKeyCZYBCSMOSQTNBG-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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Related Compounds

2-(hydroxymethyl)pyrimidine-4-carboxylic acid
CID 105430018
2-[2-(2-methylpropyl)pyrimidin-4-yl]pyridine-4-carboxylic acid
CID 56878845
2-(acetamidomethyl)pyrimidine-4-carboxylic acid
CID 84665880
2-(2-methylpropylamino)pyrimidine-4-carboxylic acid
CID 103689466
[2-(2-methylpropyl)pyrimidin-4-yl]methanol
CID 62747781
2-(propan-2-ylamino)pyrimidine-4-carboxylic acid
CID 107553189
2-[1-(2-propan-2-ylpyrimidin-4-yl)propan-2-yl]pyrimidine-4-carboxylic acid
CID 134302095
N,N-dimethyl-2-(2-methylpropyl)pyrimidin-4-amine
CID 89368528
2-[(cyclopropylamino)methyl]pyrimidine-4-carboxylic acid
CID 84664586
2-methyl-3-(4-methylpyrimidin-2-yl)propanoic acid
CID 116900020
2-(2,2-difluoroethoxy)pyrimidine-4-carboxylic acid
CID 107555001
2-(2-methoxyethoxy)pyrimidine-4-carboxylic acid
CID 107554746

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)pyrimidine-4-carboxylic acid?
The IUPAC name of 2-(2-methylpropyl)pyrimidine-4-carboxylic acid (CID 62749024) is 2-(2-methylpropyl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(2-methylpropyl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(2-methylpropyl)pyrimidine-4-carboxylic acid is CC(C)Cc1nccc(C(=O)O)n1.
What is the InChIKey of 2-(2-methylpropyl)pyrimidine-4-carboxylic acid?
The InChIKey is CZYBCSMOSQTNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-6(2)5-8-10-4-3-7(11-8)9(12)13/h3-4,6H,5H2,1-2H3,(H,12,13).
What are the key properties of 2-(2-methylpropyl)pyrimidine-4-carboxylic acid?
2-(2-methylpropyl)pyrimidine-4-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 2-(2-methylpropyl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 62749024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).