lithium 2-(2-cyclopropylethyl)pyrimidine-5-carboxylic acid

C10H12LiN2O2+ — CID 159988088

IUPAClithium 2-(2-cyclopropylethyl)pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(CCC2CC2)nc1.[Li+]
InChIInChI=1S/C10H12N2O2.Li/c13-10(14)8-5-11-9(12-6-8)4-3-7-1-2-7;/h5-7H,1-4H2,(H,13,14);/q;+1
InChIKeyUGPDFLNULUFYIS-UHFFFAOYSA-N
MW199.16 g/mol
LogP-1.48
Rot. Bonds4

About lithium 2-(2-cyclopropylethyl)pyrimidine-5-carboxylic acid

lithium 2-(2-cyclopropylethyl)pyrimidine-5-carboxylic acid (PubChem CID 159988088) has the molecular formula C10H12LiN2O2+ and a molecular weight of 199.16 g/mol. Its IUPAC name is lithium 2-(2-cyclopropylethyl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Namelithium 2-(2-cyclopropylethyl)pyrimidine-5-carboxylic acid
PubChem CID159988088
Molecular FormulaC10H12LiN2O2+
Molecular Weight199.16 g/mol
Exact Mass199.11
IUPAC Namelithium 2-(2-cyclopropylethyl)pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(CCC2CC2)nc1.[Li+]
InChIInChI=1S/C10H12N2O2.Li/c13-10(14)8-5-11-9(12-6-8)4-3-7-1-2-7;/h5-7H,1-4H2,(H,13,14);/q;+1
InChIKeyUGPDFLNULUFYIS-UHFFFAOYSA-N
XLogP-1.48
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.16
LogP ≤ 5-1.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[5-(2-phenylethynyl)pyrimidin-2-yl]ethyl]cyclohexan-1-ol
CID 121299052
2-(2-phenoxyethyl)pyrimidine-5-carboxylic acid
CID 82168730
2-[(propan-2-ylamino)methyl]pyrimidine-5-carboxylic acid
CID 84666060
2-(ethylaminomethyl)pyrimidine-5-carboxylic acid
CID 84657807
4-amino-2-(2-cyclopentylethyl)pyrimidine-5-carboxamide
CID 70687942
2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-5-propylpyrimidine
CID 19839620
5-butyl-2-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]pyrimidine
CID 19839937
5-bromo-6-(cyclopropylmethoxy)pyridine-3-carboxylic acid
CID 21109708
2-(4-hydroxypiperidin-1-yl)pyrimidine-5-carboxylic acid
CID 53415565
2-cyclopentyloxypyrimidine-5-carboxylic acid
CID 25116525
2-[cyclopropyl(methyl)amino]pyrimidine-5-carboxylic acid
CID 83830301
2-aminopyrimidine-5-carboxylic acid
CID 7020367

Frequently Asked Questions

What is the IUPAC name of lithium 2-(2-cyclopropylethyl)pyrimidine-5-carboxylic acid?
The IUPAC name of lithium 2-(2-cyclopropylethyl)pyrimidine-5-carboxylic acid (CID 159988088) is lithium 2-(2-cyclopropylethyl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for lithium 2-(2-cyclopropylethyl)pyrimidine-5-carboxylic acid?
The canonical SMILES for lithium 2-(2-cyclopropylethyl)pyrimidine-5-carboxylic acid is O=C(O)c1cnc(CCC2CC2)nc1.[Li+].
What is the InChIKey of lithium 2-(2-cyclopropylethyl)pyrimidine-5-carboxylic acid?
The InChIKey is UGPDFLNULUFYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2.Li/c13-10(14)8-5-11-9(12-6-8)4-3-7-1-2-7;/h5-7H,1-4H2,(H,13,14);/q;+1.
What are the key properties of lithium 2-(2-cyclopropylethyl)pyrimidine-5-carboxylic acid?
lithium 2-(2-cyclopropylethyl)pyrimidine-5-carboxylic acid has a molecular weight of 199.16 g/mol, XLogP of -1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-(2-cyclopropylethyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 159988088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).