N-(3-ethylsulfanylcyclopentyl)-4,6-dimethoxy-1,3,5-triazin-2-amine

C12H20N4O2S — CID 103704832

IUPACN-(3-ethylsulfanylcyclopentyl)-4,6-dimethoxy-1,3,5-triazin-2-amine
SMILESCCSC1CCC(Nc2nc(OC)nc(OC)n2)C1
InChIInChI=1S/C12H20N4O2S/c1-4-19-9-6-5-8(7-9)13-10-14-11(17-2)16-12(15-10)18-3/h8-9H,4-7H2,1-3H3,(H,13,14,15,16)
InChIKeyDQLOBKBTKZSYGY-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.97
Rot. Bonds6

About N-(3-ethylsulfanylcyclopentyl)-4,6-dimethoxy-1,3,5-triazin-2-amine

N-(3-ethylsulfanylcyclopentyl)-4,6-dimethoxy-1,3,5-triazin-2-amine (PubChem CID 103704832) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-(3-ethylsulfanylcyclopentyl)-4,6-dimethoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(3-ethylsulfanylcyclopentyl)-4,6-dimethoxy-1,3,5-triazin-2-amine
PubChem CID103704832
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC NameN-(3-ethylsulfanylcyclopentyl)-4,6-dimethoxy-1,3,5-triazin-2-amine
SMILESCCSC1CCC(Nc2nc(OC)nc(OC)n2)C1
InChIInChI=1S/C12H20N4O2S/c1-4-19-9-6-5-8(7-9)13-10-14-11(17-2)16-12(15-10)18-3/h8-9H,4-7H2,1-3H3,(H,13,14,15,16)
InChIKeyDQLOBKBTKZSYGY-UHFFFAOYSA-N
XLogP1.97
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-bromo-N-(3-ethylsulfanylcyclopentyl)pyrimidin-2-amine
CID 103704815
5-chloro-N-(3-ethylsulfanylcyclopentyl)pyrimidin-2-amine
CID 103724876
N-(3-ethylsulfanylcyclopentyl)-4-methylpyrimidin-2-amine
CID 103704805
N-cyclooctyl-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 62859800
N-cyclohexyl-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 15184090
4,6-dimethoxy-N-(oxan-4-yl)-1,3,5-triazin-2-amine
CID 62861073
N-(3-ethylsulfanylcyclopentyl)-2,6-dimethylpyrimidin-4-amine
CID 113244238
N-(1,2-dimethylpiperidin-4-yl)-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 79034210
N-(3-ethylsulfanylcyclopentyl)-2-methylpyrimidin-4-amine
CID 103704839
5-chloro-4-N-(3-ethylsulfanylcyclopentyl)-2-N-methylpyrimidine-2,4-diamine
CID 114124204
4-chloro-N-(3-ethylcyclohexyl)-6-methoxy-1,3,5-triazin-2-amine
CID 64743928
2-N-tert-butyl-4-N-cyclopropyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 163594071

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfanylcyclopentyl)-4,6-dimethoxy-1,3,5-triazin-2-amine?
The IUPAC name of N-(3-ethylsulfanylcyclopentyl)-4,6-dimethoxy-1,3,5-triazin-2-amine (CID 103704832) is N-(3-ethylsulfanylcyclopentyl)-4,6-dimethoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(3-ethylsulfanylcyclopentyl)-4,6-dimethoxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-(3-ethylsulfanylcyclopentyl)-4,6-dimethoxy-1,3,5-triazin-2-amine is CCSC1CCC(Nc2nc(OC)nc(OC)n2)C1.
What is the InChIKey of N-(3-ethylsulfanylcyclopentyl)-4,6-dimethoxy-1,3,5-triazin-2-amine?
The InChIKey is DQLOBKBTKZSYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-4-19-9-6-5-8(7-9)13-10-14-11(17-2)16-12(15-10)18-3/h8-9H,4-7H2,1-3H3,(H,13,14,15,16).
What are the key properties of N-(3-ethylsulfanylcyclopentyl)-4,6-dimethoxy-1,3,5-triazin-2-amine?
N-(3-ethylsulfanylcyclopentyl)-4,6-dimethoxy-1,3,5-triazin-2-amine has a molecular weight of 284.38 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfanylcyclopentyl)-4,6-dimethoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 103704832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).