1-cyclohexyl-N-ethyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine

C17H29N3S — CID 104755844

IUPAC1-cyclohexyl-N-ethyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine
SMILESCCNC(CSc1nc(C)c(C)c(C)n1)C1CCCCC1
InChIInChI=1S/C17H29N3S/c1-5-18-16(15-9-7-6-8-10-15)11-21-17-19-13(3)12(2)14(4)20-17/h15-16,18H,5-11H2,1-4H3
InChIKeyPAJIBCBQSIRDMQ-UHFFFAOYSA-N
MW307.51 g/mol
LogP4.05
Rot. Bonds6

About 1-cyclohexyl-N-ethyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine

1-cyclohexyl-N-ethyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine (PubChem CID 104755844) has the molecular formula C17H29N3S and a molecular weight of 307.51 g/mol. Its IUPAC name is 1-cyclohexyl-N-ethyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine.

Molecular Properties

Compound Name1-cyclohexyl-N-ethyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine
PubChem CID104755844
Molecular FormulaC17H29N3S
Molecular Weight307.51 g/mol
Exact Mass307.21
IUPAC Name1-cyclohexyl-N-ethyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine
SMILESCCNC(CSc1nc(C)c(C)c(C)n1)C1CCCCC1
InChIInChI=1S/C17H29N3S/c1-5-18-16(15-9-7-6-8-10-15)11-21-17-19-13(3)12(2)14(4)20-17/h15-16,18H,5-11H2,1-4H3
InChIKeyPAJIBCBQSIRDMQ-UHFFFAOYSA-N
XLogP4.05
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.51
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-N-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine
CID 65040912
1-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylethanamine
CID 104755547
1-cyclohexyl-N-ethyl-2-pyrimidin-4-ylsulfanylethanamine
CID 113449525
1-cyclohexyl-N-ethyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
CID 104756010
1-cyclohexyl-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylethanamine
CID 104755169
N-[1-cyclohexyl-2-(4-methylpyrimidin-2-yl)sulfanylethyl]propan-1-amine
CID 104755528
1-cyclohexyl-N-ethylpropan-1-amine
CID 60817829
N-[1-cyclopentyl-2-(4-methylpyrimidin-2-yl)sulfanylethyl]propan-1-amine
CID 104755524
3-[2-cyclopentyl-2-(ethylamino)ethyl]sulfanyl-4-propan-2-yl-1H-1,2,4-triazol-5-one
CID 104755592
1-cyclohexyl-N-ethyl-2-(3,4,5-trimethylpyrazol-1-yl)ethanamine
CID 104747419
2-tert-butylsulfanyl-1-cyclopentyl-N-ethylethanamine
CID 65132569
1-cyclopropyl-N-ethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine
CID 64633892

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-ethyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine?
The IUPAC name of 1-cyclohexyl-N-ethyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine (CID 104755844) is 1-cyclohexyl-N-ethyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine.
What is the SMILES notation for 1-cyclohexyl-N-ethyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine?
The canonical SMILES for 1-cyclohexyl-N-ethyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine is CCNC(CSc1nc(C)c(C)c(C)n1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-ethyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine?
The InChIKey is PAJIBCBQSIRDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3S/c1-5-18-16(15-9-7-6-8-10-15)11-21-17-19-13(3)12(2)14(4)20-17/h15-16,18H,5-11H2,1-4H3.
What are the key properties of 1-cyclohexyl-N-ethyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine?
1-cyclohexyl-N-ethyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine has a molecular weight of 307.51 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-ethyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine is sourced from PubChem (CID 104755844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).