1-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylethanamine

C15H25N3S — CID 104755547

IUPAC1-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylethanamine
SMILESCNC(CSc1nc(C)cc(C)n1)C1CCCCC1
InChIInChI=1S/C15H25N3S/c1-11-9-12(2)18-15(17-11)19-10-14(16-3)13-7-5-4-6-8-13/h9,13-14,16H,4-8,10H2,1-3H3
InChIKeyWABHGMZYHDUMQQ-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.35
Rot. Bonds5

About 1-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylethanamine

1-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylethanamine (PubChem CID 104755547) has the molecular formula C15H25N3S and a molecular weight of 279.45 g/mol. Its IUPAC name is 1-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylethanamine.

Molecular Properties

Compound Name1-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylethanamine
PubChem CID104755547
Molecular FormulaC15H25N3S
Molecular Weight279.45 g/mol
Exact Mass279.18
IUPAC Name1-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylethanamine
SMILESCNC(CSc1nc(C)cc(C)n1)C1CCCCC1
InChIInChI=1S/C15H25N3S/c1-11-9-12(2)18-15(17-11)19-10-14(16-3)13-7-5-4-6-8-13/h9,13-14,16H,4-8,10H2,1-3H3
InChIKeyWABHGMZYHDUMQQ-UHFFFAOYSA-N
XLogP3.35
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-N-methyl-2-(4-methylpyrimidin-2-yl)sulfanylethanamine
CID 104755526
1-cyclopropyl-N-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine
CID 65040912
1-cyclohexyl-N-methyl-2-(4-methylphenyl)sulfanylethanamine
CID 66066194
1-cyclopropyl-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylethanamine
CID 102926585
N-(2-amino-1-cyclohexylethyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 119591556
N-(2-amino-1-cyclohexylethyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide;hydrochloride
CID 119591555
1-cyclohexyl-N-ethyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine
CID 104755844
N-[1-cyclohexyl-2-(4-methylpyrimidin-2-yl)sulfanylethyl]propan-1-amine
CID 104755528
N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]cyclopentanamine
CID 62580286
1-cyclopentyl-N-methyl-2-(4-propan-2-ylphenyl)sulfanylethanamine
CID 104755248
1-cyclopentyl-N-(4,6-dimethylpyrimidin-2-yl)ethane-1,2-diamine
CID 106738262
1-cyclopentyl-N-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine
CID 104755571

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylethanamine?
The IUPAC name of 1-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylethanamine (CID 104755547) is 1-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylethanamine.
What is the SMILES notation for 1-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylethanamine?
The canonical SMILES for 1-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylethanamine is CNC(CSc1nc(C)cc(C)n1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylethanamine?
The InChIKey is WABHGMZYHDUMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3S/c1-11-9-12(2)18-15(17-11)19-10-14(16-3)13-7-5-4-6-8-13/h9,13-14,16H,4-8,10H2,1-3H3.
What are the key properties of 1-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylethanamine?
1-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylethanamine has a molecular weight of 279.45 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylethanamine is sourced from PubChem (CID 104755547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).