4-[(3-ethoxycyclobutyl)methyl]-6-methylsulfanyl-1,3,5-triazin-2-amine

C11H18N4OS — CID 103162628

IUPAC4-[(3-ethoxycyclobutyl)methyl]-6-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCCOC1CC(Cc2nc(N)nc(SC)n2)C1
InChIInChI=1S/C11H18N4OS/c1-3-16-8-4-7(5-8)6-9-13-10(12)15-11(14-9)17-2/h7-8H,3-6H2,1-2H3,(H2,12,13,14,15)
InChIKeyTUNOYMOPFYOTDQ-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.53
Rot. Bonds5

About 4-[(3-ethoxycyclobutyl)methyl]-6-methylsulfanyl-1,3,5-triazin-2-amine

4-[(3-ethoxycyclobutyl)methyl]-6-methylsulfanyl-1,3,5-triazin-2-amine (PubChem CID 103162628) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 4-[(3-ethoxycyclobutyl)methyl]-6-methylsulfanyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[(3-ethoxycyclobutyl)methyl]-6-methylsulfanyl-1,3,5-triazin-2-amine
PubChem CID103162628
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name4-[(3-ethoxycyclobutyl)methyl]-6-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCCOC1CC(Cc2nc(N)nc(SC)n2)C1
InChIInChI=1S/C11H18N4OS/c1-3-16-8-4-7(5-8)6-9-13-10(12)15-11(14-9)17-2/h7-8H,3-6H2,1-2H3,(H2,12,13,14,15)
InChIKeyTUNOYMOPFYOTDQ-UHFFFAOYSA-N
XLogP1.53
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(3-ethoxycyclobutyl)methyl]-1H-1,2,4-triazol-3-amine
CID 103162624
5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-amine
CID 103166250
3-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)propan-1-ol
CID 83084222
4-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)butan-2-ol
CID 83084599
3-[(3-ethoxycyclobutyl)methyl]-4-methyl-1,2-oxazol-5-amine
CID 103164213
3-[5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 103166238
3-[(3-ethoxycyclobutyl)methyl]-4-ethyl-1,2-oxazol-5-amine
CID 103164225
4-(3-methoxy-2-methylpropyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 83083674
1-[5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]-N-methylmethanamine
CID 103166233
5-[(3-ethoxycyclobutyl)methyl]-4-propan-2-yl-1,2-oxazol-3-amine
CID 103167470
5-[(3-ethoxycyclobutyl)methyl]-4-(4-methylphenyl)-1H-pyrazol-3-amine
CID 103164027
4-methylsulfanyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine
CID 103206958

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethoxycyclobutyl)methyl]-6-methylsulfanyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[(3-ethoxycyclobutyl)methyl]-6-methylsulfanyl-1,3,5-triazin-2-amine (CID 103162628) is 4-[(3-ethoxycyclobutyl)methyl]-6-methylsulfanyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[(3-ethoxycyclobutyl)methyl]-6-methylsulfanyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[(3-ethoxycyclobutyl)methyl]-6-methylsulfanyl-1,3,5-triazin-2-amine is CCOC1CC(Cc2nc(N)nc(SC)n2)C1.
What is the InChIKey of 4-[(3-ethoxycyclobutyl)methyl]-6-methylsulfanyl-1,3,5-triazin-2-amine?
The InChIKey is TUNOYMOPFYOTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-3-16-8-4-7(5-8)6-9-13-10(12)15-11(14-9)17-2/h7-8H,3-6H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 4-[(3-ethoxycyclobutyl)methyl]-6-methylsulfanyl-1,3,5-triazin-2-amine?
4-[(3-ethoxycyclobutyl)methyl]-6-methylsulfanyl-1,3,5-triazin-2-amine has a molecular weight of 254.36 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethoxycyclobutyl)methyl]-6-methylsulfanyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 103162628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).