2-(cyclopentylsulfanylmethyl)-4-cyclopropylpyrimidine-5-carboxylic acid

C14H18N2O2S — CID 65140931

IUPAC2-(cyclopentylsulfanylmethyl)-4-cyclopropylpyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(CSC2CCCC2)nc1C1CC1
InChIInChI=1S/C14H18N2O2S/c17-14(18)11-7-15-12(16-13(11)9-5-6-9)8-19-10-3-1-2-4-10/h7,9-10H,1-6,8H2,(H,17,18)
InChIKeyYYLXEZFELGLLQH-UHFFFAOYSA-N
MW278.38 g/mol
LogP3.23
Rot. Bonds5

About 2-(cyclopentylsulfanylmethyl)-4-cyclopropylpyrimidine-5-carboxylic acid

2-(cyclopentylsulfanylmethyl)-4-cyclopropylpyrimidine-5-carboxylic acid (PubChem CID 65140931) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-(cyclopentylsulfanylmethyl)-4-cyclopropylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(cyclopentylsulfanylmethyl)-4-cyclopropylpyrimidine-5-carboxylic acid
PubChem CID65140931
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name2-(cyclopentylsulfanylmethyl)-4-cyclopropylpyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(CSC2CCCC2)nc1C1CC1
InChIInChI=1S/C14H18N2O2S/c17-14(18)11-7-15-12(16-13(11)9-5-6-9)8-19-10-3-1-2-4-10/h7,9-10H,1-6,8H2,(H,17,18)
InChIKeyYYLXEZFELGLLQH-UHFFFAOYSA-N
XLogP3.23
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopentylsulfanylmethyl)-4-cyclopropylpyrimidin-5-amine
CID 114207246
4-cyclopropyl-2-[(2-fluorophenyl)sulfanylmethyl]pyrimidine-5-carboxylic acid
CID 66053685
2-[(3-bromophenyl)sulfanylmethyl]-4-cyclopropylpyrimidine-5-carboxylic acid
CID 66158657
4-cyclopropyl-2-(oxolan-3-ylmethyl)pyrimidine-5-carboxylic acid
CID 103987736
ethyl 2-(cyclohexylsulfanylmethyl)-4-methylpyrimidine-5-carboxylate
CID 102972476
4-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-5-carboxylic acid
CID 103150193
ethyl 4-cyclopropyl-2-(ethylsulfanylmethyl)pyrimidine-5-carboxylate
CID 102973087
4-cyclopropyl-2-(4-ethylcyclohexyl)pyrimidine-5-carboxylic acid
CID 65390332
2-(cyclohexylsulfanylmethyl)pyrimidin-5-amine
CID 65139971
ethyl 2-(butan-2-ylsulfanylmethyl)-4-cyclopropylpyrimidine-5-carboxylate
CID 102973068
2-(cyclopentylsulfanylmethyl)-4-cyclopropyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739584
4-cyclopropyl-2-[methyl(propan-2-yl)amino]pyrimidine-5-carboxylic acid
CID 83841869

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylsulfanylmethyl)-4-cyclopropylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-(cyclopentylsulfanylmethyl)-4-cyclopropylpyrimidine-5-carboxylic acid (CID 65140931) is 2-(cyclopentylsulfanylmethyl)-4-cyclopropylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(cyclopentylsulfanylmethyl)-4-cyclopropylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(cyclopentylsulfanylmethyl)-4-cyclopropylpyrimidine-5-carboxylic acid is O=C(O)c1cnc(CSC2CCCC2)nc1C1CC1.
What is the InChIKey of 2-(cyclopentylsulfanylmethyl)-4-cyclopropylpyrimidine-5-carboxylic acid?
The InChIKey is YYLXEZFELGLLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c17-14(18)11-7-15-12(16-13(11)9-5-6-9)8-19-10-3-1-2-4-10/h7,9-10H,1-6,8H2,(H,17,18).
What are the key properties of 2-(cyclopentylsulfanylmethyl)-4-cyclopropylpyrimidine-5-carboxylic acid?
2-(cyclopentylsulfanylmethyl)-4-cyclopropylpyrimidine-5-carboxylic acid has a molecular weight of 278.38 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylsulfanylmethyl)-4-cyclopropylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 65140931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).