4-benzylsulfanyl-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine

C15H20N4OS — CID 80871999

IUPAC4-benzylsulfanyl-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCCNc1nc(OC(C)C)nc(SCc2ccccc2)n1
InChIInChI=1S/C15H20N4OS/c1-4-16-13-17-14(20-11(2)3)19-15(18-13)21-10-12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3,(H,16,17,18,19)
InChIKeyIPCWBLBPNPOXMX-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.38
Rot. Bonds7

About 4-benzylsulfanyl-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine

4-benzylsulfanyl-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine (PubChem CID 80871999) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 4-benzylsulfanyl-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-benzylsulfanyl-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
PubChem CID80871999
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name4-benzylsulfanyl-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCCNc1nc(OC(C)C)nc(SCc2ccccc2)n1
InChIInChI=1S/C15H20N4OS/c1-4-16-13-17-14(20-11(2)3)19-15(18-13)21-10-12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3,(H,16,17,18,19)
InChIKeyIPCWBLBPNPOXMX-UHFFFAOYSA-N
XLogP3.38
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-benzylsulfanyl-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-benzylsulfanyl-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine (CID 80871999) is 4-benzylsulfanyl-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-benzylsulfanyl-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-benzylsulfanyl-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine is CCNc1nc(OC(C)C)nc(SCc2ccccc2)n1.
What is the InChIKey of 4-benzylsulfanyl-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The InChIKey is IPCWBLBPNPOXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-4-16-13-17-14(20-11(2)3)19-15(18-13)21-10-12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3,(H,16,17,18,19).
What are the key properties of 4-benzylsulfanyl-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine?
4-benzylsulfanyl-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine has a molecular weight of 304.42 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylsulfanyl-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80871999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).