4-tert-butylsulfanyl-N-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine

C14H25N5S — CID 80887435

IUPAC4-tert-butylsulfanyl-N-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESCCNc1nc(SC(C)(C)C)nc(N2CCCCC2)n1
InChIInChI=1S/C14H25N5S/c1-5-15-11-16-12(19-9-7-6-8-10-19)18-13(17-11)20-14(2,3)4/h5-10H2,1-4H3,(H,15,16,17,18)
InChIKeyOUFYCRPVBLVDNK-UHFFFAOYSA-N
MW295.46 g/mol
LogP3.18
Rot. Bonds4

About 4-tert-butylsulfanyl-N-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine

4-tert-butylsulfanyl-N-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 80887435) has the molecular formula C14H25N5S and a molecular weight of 295.46 g/mol. Its IUPAC name is 4-tert-butylsulfanyl-N-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-tert-butylsulfanyl-N-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
PubChem CID80887435
Molecular FormulaC14H25N5S
Molecular Weight295.46 g/mol
Exact Mass295.18
IUPAC Name4-tert-butylsulfanyl-N-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESCCNc1nc(SC(C)(C)C)nc(N2CCCCC2)n1
InChIInChI=1S/C14H25N5S/c1-5-15-11-16-12(19-9-7-6-8-10-19)18-13(17-11)20-14(2,3)4/h5-10H2,1-4H3,(H,15,16,17,18)
InChIKeyOUFYCRPVBLVDNK-UHFFFAOYSA-N
XLogP3.18
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.46
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

4-tert-butylsulfanyl-N-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80887169
2-N-(2,2-dimethylpropyl)-4-N-ethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80775565
N-ethyl-4-(1,3-oxazol-2-ylsulfanyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 106928221
N-ethyl-4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80932196
2-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770376
N-ethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 106928518
N-ethyl-4-piperidin-1-yl-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-amine
CID 80872113
4-N-ethyl-2-N-(2-methylpropyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770163
4-N-ethyl-2-N-(3-methylpentan-3-yl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 106332036
N-ethyl-4-pyrrolidin-1-yl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine
CID 80885488
1-[[4-(ethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]propan-2-ol
CID 80779055
4-N-ethyl-2-N-(3-methylbutan-2-yl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80757822

Frequently Asked Questions

What is the IUPAC name of 4-tert-butylsulfanyl-N-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-tert-butylsulfanyl-N-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine (CID 80887435) is 4-tert-butylsulfanyl-N-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-tert-butylsulfanyl-N-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-tert-butylsulfanyl-N-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine is CCNc1nc(SC(C)(C)C)nc(N2CCCCC2)n1.
What is the InChIKey of 4-tert-butylsulfanyl-N-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is OUFYCRPVBLVDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5S/c1-5-15-11-16-12(19-9-7-6-8-10-19)18-13(17-11)20-14(2,3)4/h5-10H2,1-4H3,(H,15,16,17,18).
What are the key properties of 4-tert-butylsulfanyl-N-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine?
4-tert-butylsulfanyl-N-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 295.46 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylsulfanyl-N-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80887435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).