2-[1-[3-(1-methylsulfanylethyl)cyclobutyl]propan-2-yl]pyrimidine

C14H22N2S — CID 123231333

IUPAC2-[1-[3-(1-methylsulfanylethyl)cyclobutyl]propan-2-yl]pyrimidine
SMILESCSC(C)C1CC(CC(C)c2ncccn2)C1
InChIInChI=1S/C14H22N2S/c1-10(14-15-5-4-6-16-14)7-12-8-13(9-12)11(2)17-3/h4-6,10-13H,7-9H2,1-3H3
InChIKeyWFOOSYPUECZSNI-UHFFFAOYSA-N
MW250.41 g/mol
LogP3.75
Rot. Bonds5

About 2-[1-[3-(1-methylsulfanylethyl)cyclobutyl]propan-2-yl]pyrimidine

2-[1-[3-(1-methylsulfanylethyl)cyclobutyl]propan-2-yl]pyrimidine (PubChem CID 123231333) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 2-[1-[3-(1-methylsulfanylethyl)cyclobutyl]propan-2-yl]pyrimidine.

Molecular Properties

Compound Name2-[1-[3-(1-methylsulfanylethyl)cyclobutyl]propan-2-yl]pyrimidine
PubChem CID123231333
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name2-[1-[3-(1-methylsulfanylethyl)cyclobutyl]propan-2-yl]pyrimidine
SMILESCSC(C)C1CC(CC(C)c2ncccn2)C1
InChIInChI=1S/C14H22N2S/c1-10(14-15-5-4-6-16-14)7-12-8-13(9-12)11(2)17-3/h4-6,10-13H,7-9H2,1-3H3
InChIKeyWFOOSYPUECZSNI-UHFFFAOYSA-N
XLogP3.75
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[1-[3-(1-methylsulfanylethyl)cyclobutyl]propan-2-yl]pyrimidine with MolForge

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

Launch Full Analysis

Related Compounds

2-(1-methylsulfanylpropan-2-yl)pyrimidine
CID 66920835
2-(3-methylbutan-2-yl)pyrimidine
CID 139342310
2-cyclopentyl-1-pyrimidin-2-ylethanol
CID 62608023
2-[[4-(2-methylpropyl)cyclohexyl]methyl]pyridine
CID 129147354
2-(oxan-4-yl)-1-pyrimidin-2-ylethanol
CID 62608022
[(2S)-1-cyclopropylpropan-2-yl]benzene
CID 169109278
fluoromethane;2-propan-2-ylpyrimidine
CID 161216719
2-[(1S)-1-bromopropyl]pyrimidine
CID 124635355
2-butan-2-ylpyrimidine;2-methylpyridine
CID 142961647
1-(1-pyrimidin-2-ylpiperidin-4-yl)propan-2-amine
CID 69067290
(1S)-2-cyclopropyl-1-(3-methyl-2-pyridinyl)ethanamine
CID 55293023
2-cyclopropyl-1-(3-methyl-2-pyridinyl)ethanol
CID 64904867

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(1-methylsulfanylethyl)cyclobutyl]propan-2-yl]pyrimidine?
The IUPAC name of 2-[1-[3-(1-methylsulfanylethyl)cyclobutyl]propan-2-yl]pyrimidine (CID 123231333) is 2-[1-[3-(1-methylsulfanylethyl)cyclobutyl]propan-2-yl]pyrimidine.
What is the SMILES notation for 2-[1-[3-(1-methylsulfanylethyl)cyclobutyl]propan-2-yl]pyrimidine?
The canonical SMILES for 2-[1-[3-(1-methylsulfanylethyl)cyclobutyl]propan-2-yl]pyrimidine is CSC(C)C1CC(CC(C)c2ncccn2)C1.
What is the InChIKey of 2-[1-[3-(1-methylsulfanylethyl)cyclobutyl]propan-2-yl]pyrimidine?
The InChIKey is WFOOSYPUECZSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-10(14-15-5-4-6-16-14)7-12-8-13(9-12)11(2)17-3/h4-6,10-13H,7-9H2,1-3H3.
What are the key properties of 2-[1-[3-(1-methylsulfanylethyl)cyclobutyl]propan-2-yl]pyrimidine?
2-[1-[3-(1-methylsulfanylethyl)cyclobutyl]propan-2-yl]pyrimidine has a molecular weight of 250.41 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(1-methylsulfanylethyl)cyclobutyl]propan-2-yl]pyrimidine is sourced from PubChem (CID 123231333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).