4-cyclopentyl-2-methylsulfanylpyrimidine

C10H14N2S — CID 70073291

IUPAC4-cyclopentyl-2-methylsulfanylpyrimidine
SMILESCSc1nccc(C2CCCC2)n1
InChIInChI=1S/C10H14N2S/c1-13-10-11-7-6-9(12-10)8-4-2-3-5-8/h6-8H,2-5H2,1H3
InChIKeyNMXSYKMRFGXKHE-UHFFFAOYSA-N
MW194.30 g/mol
LogP2.86
Rot. Bonds2

About 4-cyclopentyl-2-methylsulfanylpyrimidine

4-cyclopentyl-2-methylsulfanylpyrimidine (PubChem CID 70073291) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 4-cyclopentyl-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4-cyclopentyl-2-methylsulfanylpyrimidine
PubChem CID70073291
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Name4-cyclopentyl-2-methylsulfanylpyrimidine
SMILESCSc1nccc(C2CCCC2)n1
InChIInChI=1S/C10H14N2S/c1-13-10-11-7-6-9(12-10)8-4-2-3-5-8/h6-8H,2-5H2,1H3
InChIKeyNMXSYKMRFGXKHE-UHFFFAOYSA-N
XLogP2.86
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-cyclopentyl-2-methylsulfanylpyrimidine 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 4-cyclopentyl-2-methylsulfanylpyrimidine?
The IUPAC name of 4-cyclopentyl-2-methylsulfanylpyrimidine (CID 70073291) is 4-cyclopentyl-2-methylsulfanylpyrimidine.
What is the SMILES notation for 4-cyclopentyl-2-methylsulfanylpyrimidine?
The canonical SMILES for 4-cyclopentyl-2-methylsulfanylpyrimidine is CSc1nccc(C2CCCC2)n1.
What is the InChIKey of 4-cyclopentyl-2-methylsulfanylpyrimidine?
The InChIKey is NMXSYKMRFGXKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S/c1-13-10-11-7-6-9(12-10)8-4-2-3-5-8/h6-8H,2-5H2,1H3.
What are the key properties of 4-cyclopentyl-2-methylsulfanylpyrimidine?
4-cyclopentyl-2-methylsulfanylpyrimidine has a molecular weight of 194.30 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-2-methylsulfanylpyrimidine is sourced from PubChem (CID 70073291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).