2-methyl-4-propan-2-ylpyrimidine-5-carboxylic acid

C9H12N2O2 — CID 14639230

IUPAC2-methyl-4-propan-2-ylpyrimidine-5-carboxylic acid
SMILESCc1ncc(C(=O)O)c(C(C)C)n1
InChIInChI=1S/C9H12N2O2/c1-5(2)8-7(9(12)13)4-10-6(3)11-8/h4-5H,1-3H3,(H,12,13)
InChIKeyRZGODGDGIONWIW-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.61
Rot. Bonds2

About 2-methyl-4-propan-2-ylpyrimidine-5-carboxylic acid

2-methyl-4-propan-2-ylpyrimidine-5-carboxylic acid (PubChem CID 14639230) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-methyl-4-propan-2-ylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-methyl-4-propan-2-ylpyrimidine-5-carboxylic acid
PubChem CID14639230
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-methyl-4-propan-2-ylpyrimidine-5-carboxylic acid
SMILESCc1ncc(C(=O)O)c(C(C)C)n1
InChIInChI=1S/C9H12N2O2/c1-5(2)8-7(9(12)13)4-10-6(3)11-8/h4-5H,1-3H3,(H,12,13)
InChIKeyRZGODGDGIONWIW-UHFFFAOYSA-N
XLogP1.61
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 2-amino-4-propylpyrimidine-5-carboxylate
CID 2777594
2-Amino-4-methylpyrimidine-5-carboxylic acid
CID 3156772
4-Methyl-5-pyrimidinecarboxylic acid
CID 14922219
2-(Butylamino)-4-methylpyrimidine-5-carboxylic acid
CID 66490403
2-Cyclopropyl-4-methylpyrimidine-5-carboxylic acid
CID 22308493
2,4-Dimethylpyrimidine-5-carboxylic acid
CID 6487595
2-(Dimethylamino)-4-methylpyrimidine-5-carboxylic acid
CID 826981
2-Methyl-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 10104416
2-Chloro-4-methylpyrimidine-5-carboxylic acid
CID 10487414
4-Methyl-2-(Trifluoromethyl)Pyrimidine-5-Carboxylic Acid
CID 10512447
4-Cyclopropyl-2-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 22831558
2-(Dimethylamino)-4-propylpyrimidine-5-carboxylic acid
CID 10512604

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-propan-2-ylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-methyl-4-propan-2-ylpyrimidine-5-carboxylic acid (CID 14639230) is 2-methyl-4-propan-2-ylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-methyl-4-propan-2-ylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-methyl-4-propan-2-ylpyrimidine-5-carboxylic acid is Cc1ncc(C(=O)O)c(C(C)C)n1.
What is the InChIKey of 2-methyl-4-propan-2-ylpyrimidine-5-carboxylic acid?
The InChIKey is RZGODGDGIONWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-5(2)8-7(9(12)13)4-10-6(3)11-8/h4-5H,1-3H3,(H,12,13).
What are the key properties of 2-methyl-4-propan-2-ylpyrimidine-5-carboxylic acid?
2-methyl-4-propan-2-ylpyrimidine-5-carboxylic acid has a molecular weight of 180.21 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-propan-2-ylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 14639230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).