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

Analyze 2-(cyclopentylsulfanylmethyl)-4-cyclopropylpyrimidine-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).