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

C13H23N5OS — CID 80887169

IUPAC4-tert-butylsulfanyl-N-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCCNc1nc(SC(C)(C)C)nc(N2CCOCC2)n1
InChIInChI=1S/C13H23N5OS/c1-5-14-10-15-11(18-6-8-19-9-7-18)17-12(16-10)20-13(2,3)4/h5-9H2,1-4H3,(H,14,15,16,17)
InChIKeyRQCPKHPZGVNDEK-UHFFFAOYSA-N
MW297.43 g/mol
LogP2.03
Rot. Bonds4

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

4-tert-butylsulfanyl-N-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 80887169) has the molecular formula C13H23N5OS and a molecular weight of 297.43 g/mol. Its IUPAC name is 4-tert-butylsulfanyl-N-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-tert-butylsulfanyl-N-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID80887169
Molecular FormulaC13H23N5OS
Molecular Weight297.43 g/mol
Exact Mass297.16
IUPAC Name4-tert-butylsulfanyl-N-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCCNc1nc(SC(C)(C)C)nc(N2CCOCC2)n1
InChIInChI=1S/C13H23N5OS/c1-5-14-10-15-11(18-6-8-19-9-7-18)17-12(16-10)20-13(2,3)4/h5-9H2,1-4H3,(H,14,15,16,17)
InChIKeyRQCPKHPZGVNDEK-UHFFFAOYSA-N
XLogP2.03
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

4-tert-butylsulfanyl-N-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80887435
N-ethyl-4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 34253082
2-N-butan-2-yl-4-N-ethyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80765648
4-N-ethyl-6-morpholin-4-yl-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine
CID 80750303
2-N-cyclobutyl-4-N-ethyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80826457
N-(3,4-dichlorophenyl)-2-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide
CID 1002158
methyl 2-[[1-[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 32802381
2-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethanol
CID 80866849
2-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-methylamino]ethanol
CID 80771023
2-N-ethyl-6-morpholin-4-yl-4-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine
CID 645138
N-ethyl-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-1,3,5-triazin-2-amine
CID 110178646
1-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-methylamino]propan-2-ol
CID 80800667

Frequently Asked Questions

What is the IUPAC name of 4-tert-butylsulfanyl-N-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-tert-butylsulfanyl-N-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 80887169) is 4-tert-butylsulfanyl-N-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-tert-butylsulfanyl-N-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-tert-butylsulfanyl-N-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine is CCNc1nc(SC(C)(C)C)nc(N2CCOCC2)n1.
What is the InChIKey of 4-tert-butylsulfanyl-N-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is RQCPKHPZGVNDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5OS/c1-5-14-10-15-11(18-6-8-19-9-7-18)17-12(16-10)20-13(2,3)4/h5-9H2,1-4H3,(H,14,15,16,17).
What are the key properties of 4-tert-butylsulfanyl-N-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
4-tert-butylsulfanyl-N-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 297.43 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylsulfanyl-N-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80887169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).