1-cyclohexyl-N-ethyl-2-pyrimidin-4-ylsulfanylethanamine

C14H23N3S — CID 113449525

IUPAC1-cyclohexyl-N-ethyl-2-pyrimidin-4-ylsulfanylethanamine
SMILESCCNC(CSc1ccncn1)C1CCCCC1
InChIInChI=1S/C14H23N3S/c1-2-16-13(12-6-4-3-5-7-12)10-18-14-8-9-15-11-17-14/h8-9,11-13,16H,2-7,10H2,1H3
InChIKeyAIFQXMJNXXNPSG-UHFFFAOYSA-N
MW265.43 g/mol
LogP3.13
Rot. Bonds6

About 1-cyclohexyl-N-ethyl-2-pyrimidin-4-ylsulfanylethanamine

1-cyclohexyl-N-ethyl-2-pyrimidin-4-ylsulfanylethanamine (PubChem CID 113449525) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is 1-cyclohexyl-N-ethyl-2-pyrimidin-4-ylsulfanylethanamine.

Molecular Properties

Compound Name1-cyclohexyl-N-ethyl-2-pyrimidin-4-ylsulfanylethanamine
PubChem CID113449525
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Name1-cyclohexyl-N-ethyl-2-pyrimidin-4-ylsulfanylethanamine
SMILESCCNC(CSc1ccncn1)C1CCCCC1
InChIInChI=1S/C14H23N3S/c1-2-16-13(12-6-4-3-5-7-12)10-18-14-8-9-15-11-17-14/h8-9,11-13,16H,2-7,10H2,1H3
InChIKeyAIFQXMJNXXNPSG-UHFFFAOYSA-N
XLogP3.13
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-N-methyl-2-pyrimidin-4-ylsulfanylethanamine
CID 104755698
2-(ethylamino)-3-pyrimidin-4-ylsulfanylpropan-1-ol
CID 64808416
1-cyclohexyl-N-ethyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine
CID 104755844
N-ethyl-1-methoxy-3-pyrimidin-4-ylsulfanylpropan-2-amine
CID 107511428
N-[2-[(5-chloro-2-pyridinyl)sulfanyl]-1-cyclohexylethyl]propan-1-amine
CID 104755834
N-ethyl-1-(4-propylphenyl)-2-pyrimidin-4-ylsulfanylethanamine
CID 64626452
N-[1-cyclohexyl-2-(4-methylpyrimidin-2-yl)sulfanylethyl]propan-1-amine
CID 104755528
1-cyclopentyl-N-ethyl-2-(4-nitrophenyl)sulfanylethanamine
CID 104755038
N-(dicyclopropylmethyl)-2-pyrimidin-4-ylsulfanylethanamine
CID 55225940
2-(cyclopropylamino)-3-pyrimidin-4-ylsulfanylpropanoic acid
CID 63696799
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

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-ethyl-2-pyrimidin-4-ylsulfanylethanamine?
The IUPAC name of 1-cyclohexyl-N-ethyl-2-pyrimidin-4-ylsulfanylethanamine (CID 113449525) is 1-cyclohexyl-N-ethyl-2-pyrimidin-4-ylsulfanylethanamine.
What is the SMILES notation for 1-cyclohexyl-N-ethyl-2-pyrimidin-4-ylsulfanylethanamine?
The canonical SMILES for 1-cyclohexyl-N-ethyl-2-pyrimidin-4-ylsulfanylethanamine is CCNC(CSc1ccncn1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-ethyl-2-pyrimidin-4-ylsulfanylethanamine?
The InChIKey is AIFQXMJNXXNPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-2-16-13(12-6-4-3-5-7-12)10-18-14-8-9-15-11-17-14/h8-9,11-13,16H,2-7,10H2,1H3.
What are the key properties of 1-cyclohexyl-N-ethyl-2-pyrimidin-4-ylsulfanylethanamine?
1-cyclohexyl-N-ethyl-2-pyrimidin-4-ylsulfanylethanamine has a molecular weight of 265.43 g/mol, XLogP of 3.13, 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-pyrimidin-4-ylsulfanylethanamine is sourced from PubChem (CID 113449525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).