2-cyclopropyl-4-methylpyrimidine-5-carboxylic acid

C9H10N2O2 — CID 22308493

IUPAC2-cyclopropyl-4-methylpyrimidine-5-carboxylic acid
SMILESCc1nc(C2CC2)ncc1C(=O)O
InChIInChI=1S/C9H10N2O2/c1-5-7(9(12)13)4-10-8(11-5)6-2-3-6/h4,6H,2-3H2,1H3,(H,12,13)
InChIKeyBSLXWOKIRNVYGN-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.36
Rot. Bonds2

About 2-cyclopropyl-4-methylpyrimidine-5-carboxylic acid

2-cyclopropyl-4-methylpyrimidine-5-carboxylic acid (PubChem CID 22308493) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 2-cyclopropyl-4-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-4-methylpyrimidine-5-carboxylic acid
PubChem CID22308493
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name2-cyclopropyl-4-methylpyrimidine-5-carboxylic acid
SMILESCc1nc(C2CC2)ncc1C(=O)O
InChIInChI=1S/C9H10N2O2/c1-5-7(9(12)13)4-10-8(11-5)6-2-3-6/h4,6H,2-3H2,1H3,(H,12,13)
InChIKeyBSLXWOKIRNVYGN-UHFFFAOYSA-N
XLogP1.36
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methyl-2-(methylsulfanyl)pyrimidine-5-carboxylic acid
CID 3613356
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
2,4-Dimethylpyrimidine-5-carboxylic acid
CID 6487595
5-Pyrimidinecarboxylic acid, 2-amino-4-methyl-, ethyl ester
CID 459813
2-(Dimethylamino)-4-methylpyrimidine-5-carboxylic acid
CID 826981
2-(Methylthio)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 6624680
4-(trifluoromethyl)pyrimidine-5-carboxylic Acid
CID 11608075

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-cyclopropyl-4-methylpyrimidine-5-carboxylic acid (CID 22308493) is 2-cyclopropyl-4-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-4-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-4-methylpyrimidine-5-carboxylic acid is Cc1nc(C2CC2)ncc1C(=O)O.
What is the InChIKey of 2-cyclopropyl-4-methylpyrimidine-5-carboxylic acid?
The InChIKey is BSLXWOKIRNVYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-5-7(9(12)13)4-10-8(11-5)6-2-3-6/h4,6H,2-3H2,1H3,(H,12,13).
What are the key properties of 2-cyclopropyl-4-methylpyrimidine-5-carboxylic acid?
2-cyclopropyl-4-methylpyrimidine-5-carboxylic acid has a molecular weight of 178.19 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 22308493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).