1-cyclopentyl-N-methyl-2-(4-methylpyrimidin-2-yl)sulfanylethanamine

C13H21N3S — CID 104755526

IUPAC1-cyclopentyl-N-methyl-2-(4-methylpyrimidin-2-yl)sulfanylethanamine
SMILESCNC(CSc1nccc(C)n1)C1CCCC1
InChIInChI=1S/C13H21N3S/c1-10-7-8-15-13(16-10)17-9-12(14-2)11-5-3-4-6-11/h7-8,11-12,14H,3-6,9H2,1-2H3
InChIKeyMLEHSLVZNPIWGG-UHFFFAOYSA-N
MW251.40 g/mol
LogP2.66
Rot. Bonds5

About 1-cyclopentyl-N-methyl-2-(4-methylpyrimidin-2-yl)sulfanylethanamine

1-cyclopentyl-N-methyl-2-(4-methylpyrimidin-2-yl)sulfanylethanamine (PubChem CID 104755526) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is 1-cyclopentyl-N-methyl-2-(4-methylpyrimidin-2-yl)sulfanylethanamine.

Molecular Properties

Compound Name1-cyclopentyl-N-methyl-2-(4-methylpyrimidin-2-yl)sulfanylethanamine
PubChem CID104755526
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC Name1-cyclopentyl-N-methyl-2-(4-methylpyrimidin-2-yl)sulfanylethanamine
SMILESCNC(CSc1nccc(C)n1)C1CCCC1
InChIInChI=1S/C13H21N3S/c1-10-7-8-15-13(16-10)17-9-12(14-2)11-5-3-4-6-11/h7-8,11-12,14H,3-6,9H2,1-2H3
InChIKeyMLEHSLVZNPIWGG-UHFFFAOYSA-N
XLogP2.66
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-cyclopentyl-2-(4-methylpyrimidin-2-yl)sulfanylethyl]propan-1-amine
CID 104755524
N-[1-cyclohexyl-2-(4-methylpyrimidin-2-yl)sulfanylethyl]propan-1-amine
CID 104755528
1-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylethanamine
CID 104755547
1-cyclopentyl-N-methyl-2-pyrimidin-4-ylsulfanylethanamine
CID 104755698
N-methyl-1-(4-methylphenyl)-2-(4-methylpyrimidin-2-yl)sulfanylethanamine
CID 64633477
ethyl 2-(cyclopropylamino)-3-(4-methylpyrimidin-2-yl)sulfanylpropanoate
CID 62267879
2-(methylamino)-3-(4-methylpyrimidin-2-yl)sulfanylpropanoic acid
CID 62269637
1-cyclopropyl-N-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine
CID 65040912
1-cyclohexyl-N-(4-methylpyrimidin-2-yl)ethane-1,2-diamine
CID 115309530
(2S)-1-(4-methylpyrimidin-2-yl)sulfanylpropan-2-amine
CID 104889205
1-cyclohexyl-N-methyl-2-(4-methylphenyl)sulfanylethanamine
CID 66066194
N-[2-(4-methylpyrimidin-2-yl)sulfanylpropyl]cyclohexanamine
CID 62581167

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-methyl-2-(4-methylpyrimidin-2-yl)sulfanylethanamine?
The IUPAC name of 1-cyclopentyl-N-methyl-2-(4-methylpyrimidin-2-yl)sulfanylethanamine (CID 104755526) is 1-cyclopentyl-N-methyl-2-(4-methylpyrimidin-2-yl)sulfanylethanamine.
What is the SMILES notation for 1-cyclopentyl-N-methyl-2-(4-methylpyrimidin-2-yl)sulfanylethanamine?
The canonical SMILES for 1-cyclopentyl-N-methyl-2-(4-methylpyrimidin-2-yl)sulfanylethanamine is CNC(CSc1nccc(C)n1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-methyl-2-(4-methylpyrimidin-2-yl)sulfanylethanamine?
The InChIKey is MLEHSLVZNPIWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-10-7-8-15-13(16-10)17-9-12(14-2)11-5-3-4-6-11/h7-8,11-12,14H,3-6,9H2,1-2H3.
What are the key properties of 1-cyclopentyl-N-methyl-2-(4-methylpyrimidin-2-yl)sulfanylethanamine?
1-cyclopentyl-N-methyl-2-(4-methylpyrimidin-2-yl)sulfanylethanamine has a molecular weight of 251.40 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-methyl-2-(4-methylpyrimidin-2-yl)sulfanylethanamine is sourced from PubChem (CID 104755526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).