4-cyclopropyl-6-methoxypyrimidine-5-carboxylic acid

C9H10N2O3 — CID 82401433

IUPAC4-cyclopropyl-6-methoxypyrimidine-5-carboxylic acid
SMILESCOc1ncnc(C2CC2)c1C(=O)O
InChIInChI=1S/C9H10N2O3/c1-14-8-6(9(12)13)7(5-2-3-5)10-4-11-8/h4-5H,2-3H2,1H3,(H,12,13)
InChIKeyLGDUCLQTMXFNKM-UHFFFAOYSA-N
MW194.19 g/mol
LogP1.06
Rot. Bonds3

About 4-cyclopropyl-6-methoxypyrimidine-5-carboxylic acid

4-cyclopropyl-6-methoxypyrimidine-5-carboxylic acid (PubChem CID 82401433) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 4-cyclopropyl-6-methoxypyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-cyclopropyl-6-methoxypyrimidine-5-carboxylic acid
PubChem CID82401433
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name4-cyclopropyl-6-methoxypyrimidine-5-carboxylic acid
SMILESCOc1ncnc(C2CC2)c1C(=O)O
InChIInChI=1S/C9H10N2O3/c1-14-8-6(9(12)13)7(5-2-3-5)10-4-11-8/h4-5H,2-3H2,1H3,(H,12,13)
InChIKeyLGDUCLQTMXFNKM-UHFFFAOYSA-N
XLogP1.06
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 4-(2-ethoxycarbonylprop-2-enyl)-2,6-dimethoxypyrimidine-5-carboxylate
CID 134975315
4-Ethyl-6-methoxy-2-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 90091822
Ethyl 2,4-dimethoxy-6-prop-2-enylpyrimidine-5-carboxylate
CID 121015747
4-Ethoxy-6-ethyl-2-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 150000717
4-Methoxy-6-methylpyrimidine-5-carboxylic acid
CID 82413435
4-Cyclopropyl-6-methoxypyrimidine-5-carbaldehyde
CID 83482118
2-Cyclopropyl-4-methoxy-6-(2-methylpropyl)pyrimidine-5-carbaldehyde
CID 87815027
2,4-Dimethoxy-6-(2-methylpropyl)pyrimidine-5-carbaldehyde
CID 87977002
2-Amino-4-methoxy-6-piperidin-4-ylpyrimidine-5-carboxylic acid
CID 175897607
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-methyl-7-oxo-6H-pyrido[2,3-d]pyrimidine-6-carboxylic acid
CID 176008676
4-Cyclopropyl-6-methylpyrimidine-5-carboxylic acid
CID 82372474
4-Cyclohexyl-6-methoxypyrimidine-5-carboxylic acid
CID 82389260

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-methoxypyrimidine-5-carboxylic acid?
The IUPAC name of 4-cyclopropyl-6-methoxypyrimidine-5-carboxylic acid (CID 82401433) is 4-cyclopropyl-6-methoxypyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-cyclopropyl-6-methoxypyrimidine-5-carboxylic acid?
The canonical SMILES for 4-cyclopropyl-6-methoxypyrimidine-5-carboxylic acid is COc1ncnc(C2CC2)c1C(=O)O.
What is the InChIKey of 4-cyclopropyl-6-methoxypyrimidine-5-carboxylic acid?
The InChIKey is LGDUCLQTMXFNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-14-8-6(9(12)13)7(5-2-3-5)10-4-11-8/h4-5H,2-3H2,1H3,(H,12,13).
What are the key properties of 4-cyclopropyl-6-methoxypyrimidine-5-carboxylic acid?
4-cyclopropyl-6-methoxypyrimidine-5-carboxylic acid has a molecular weight of 194.19 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-methoxypyrimidine-5-carboxylic acid is sourced from PubChem (CID 82401433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).