2,4-dimethylpyrimidine-5-carboxylic acid

C7H8N2O2 — CID 6487595

IUPAC2,4-dimethylpyrimidine-5-carboxylic acid
SMILESCc1ncc(C(=O)O)c(C)n1
InChIInChI=1S/C7H8N2O2/c1-4-6(7(10)11)3-8-5(2)9-4/h3H,1-2H3,(H,10,11)
InChIKeyFEFGZJBHDQRFOS-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.79
Rot. Bonds1

About 2,4-dimethylpyrimidine-5-carboxylic acid

2,4-dimethylpyrimidine-5-carboxylic acid (PubChem CID 6487595) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 2,4-dimethylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2,4-dimethylpyrimidine-5-carboxylic acid
PubChem CID6487595
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name2,4-dimethylpyrimidine-5-carboxylic acid
SMILESCc1ncc(C(=O)O)c(C)n1
InChIInChI=1S/C7H8N2O2/c1-4-6(7(10)11)3-8-5(2)9-4/h3H,1-2H3,(H,10,11)
InChIKeyFEFGZJBHDQRFOS-UHFFFAOYSA-N
XLogP0.79
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methyl-2-(methylsulfanyl)pyrimidine-5-carboxylic acid
CID 3613356
Methyl 4-methyl-2-(methylthio)pyrimidine-5-carboxylate
CID 3343807
2-Amino-4-methylpyrimidine-5-carboxylic acid
CID 3156772
Ethyl 2-chloro-4-methylpyrimidine-5-carboxylate
CID 21220624
4-Methyl-5-pyrimidinecarboxylic acid
CID 14922219
2-(Butylamino)-4-methylpyrimidine-5-carboxylic acid
CID 66490403
Ethyl 2,4-dimethylpyrimidine-5-carboxylate
CID 295888
2-Amino-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 3754696
4,6-Dimethylpyrimidine-5-carboxylic acid
CID 14922222
2-Cyclopropyl-4-methylpyrimidine-5-carboxylic acid
CID 22308493
5-Pyrimidinecarboxylic acid, 2-amino-4-methyl-, ethyl ester
CID 459813
2-(Dimethylamino)-4-methylpyrimidine-5-carboxylic acid
CID 826981

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpyrimidine-5-carboxylic acid?
The IUPAC name of 2,4-dimethylpyrimidine-5-carboxylic acid (CID 6487595) is 2,4-dimethylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2,4-dimethylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2,4-dimethylpyrimidine-5-carboxylic acid is Cc1ncc(C(=O)O)c(C)n1.
What is the InChIKey of 2,4-dimethylpyrimidine-5-carboxylic acid?
The InChIKey is FEFGZJBHDQRFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c1-4-6(7(10)11)3-8-5(2)9-4/h3H,1-2H3,(H,10,11).
What are the key properties of 2,4-dimethylpyrimidine-5-carboxylic acid?
2,4-dimethylpyrimidine-5-carboxylic acid has a molecular weight of 152.15 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 6487595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).