4-chloro-N-(1-ethylsulfanylpropan-2-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine

C11H19ClN4OS — CID 113499303

IUPAC4-chloro-N-(1-ethylsulfanylpropan-2-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCCSCC(C)Nc1nc(Cl)nc(OC(C)C)n1
InChIInChI=1S/C11H19ClN4OS/c1-5-18-6-8(4)13-10-14-9(12)15-11(16-10)17-7(2)3/h7-8H,5-6H2,1-4H3,(H,13,14,15,16)
InChIKeyKUEGZUZRMVNYAL-UHFFFAOYSA-N
MW290.82 g/mol
LogP2.87
Rot. Bonds7

About 4-chloro-N-(1-ethylsulfanylpropan-2-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine

4-chloro-N-(1-ethylsulfanylpropan-2-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine (PubChem CID 113499303) has the molecular formula C11H19ClN4OS and a molecular weight of 290.82 g/mol. Its IUPAC name is 4-chloro-N-(1-ethylsulfanylpropan-2-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(1-ethylsulfanylpropan-2-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
PubChem CID113499303
Molecular FormulaC11H19ClN4OS
Molecular Weight290.82 g/mol
Exact Mass290.10
IUPAC Name4-chloro-N-(1-ethylsulfanylpropan-2-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCCSCC(C)Nc1nc(Cl)nc(OC(C)C)n1
InChIInChI=1S/C11H19ClN4OS/c1-5-18-6-8(4)13-10-14-9(12)15-11(16-10)17-7(2)3/h7-8H,5-6H2,1-4H3,(H,13,14,15,16)
InChIKeyKUEGZUZRMVNYAL-UHFFFAOYSA-N
XLogP2.87
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.82
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-ethylsulfanylpropan-2-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(1-ethylsulfanylpropan-2-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine (CID 113499303) is 4-chloro-N-(1-ethylsulfanylpropan-2-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(1-ethylsulfanylpropan-2-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(1-ethylsulfanylpropan-2-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine is CCSCC(C)Nc1nc(Cl)nc(OC(C)C)n1.
What is the InChIKey of 4-chloro-N-(1-ethylsulfanylpropan-2-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The InChIKey is KUEGZUZRMVNYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4OS/c1-5-18-6-8(4)13-10-14-9(12)15-11(16-10)17-7(2)3/h7-8H,5-6H2,1-4H3,(H,13,14,15,16).
What are the key properties of 4-chloro-N-(1-ethylsulfanylpropan-2-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
4-chloro-N-(1-ethylsulfanylpropan-2-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine has a molecular weight of 290.82 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-ethylsulfanylpropan-2-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 113499303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).