4-propyl-6-(thietan-3-yl)-1,3,5-triazin-2-amine

C9H14N4S — CID 164648458

IUPAC4-propyl-6-(thietan-3-yl)-1,3,5-triazin-2-amine
SMILESCCCc1nc(N)nc(C2CSC2)n1
InChIInChI=1S/C9H14N4S/c1-2-3-7-11-8(6-4-14-5-6)13-9(10)12-7/h6H,2-5H2,1H3,(H2,10,11,12,13)
InChIKeyFJEBNGQEKZONQH-UHFFFAOYSA-N
MW210.31 g/mol
LogP1.24
Rot. Bonds3

About 4-propyl-6-(thietan-3-yl)-1,3,5-triazin-2-amine

4-propyl-6-(thietan-3-yl)-1,3,5-triazin-2-amine (PubChem CID 164648458) has the molecular formula C9H14N4S and a molecular weight of 210.31 g/mol. Its IUPAC name is 4-propyl-6-(thietan-3-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-propyl-6-(thietan-3-yl)-1,3,5-triazin-2-amine
PubChem CID164648458
Molecular FormulaC9H14N4S
Molecular Weight210.31 g/mol
Exact Mass210.09
IUPAC Name4-propyl-6-(thietan-3-yl)-1,3,5-triazin-2-amine
SMILESCCCc1nc(N)nc(C2CSC2)n1
InChIInChI=1S/C9H14N4S/c1-2-3-7-11-8(6-4-14-5-6)13-9(10)12-7/h6H,2-5H2,1H3,(H2,10,11,12,13)
InChIKeyFJEBNGQEKZONQH-UHFFFAOYSA-N
XLogP1.24
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.31
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-propyl-6-(thietan-3-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-propyl-6-(thietan-3-yl)-1,3,5-triazin-2-amine (CID 164648458) is 4-propyl-6-(thietan-3-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-propyl-6-(thietan-3-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-propyl-6-(thietan-3-yl)-1,3,5-triazin-2-amine is CCCc1nc(N)nc(C2CSC2)n1.
What is the InChIKey of 4-propyl-6-(thietan-3-yl)-1,3,5-triazin-2-amine?
The InChIKey is FJEBNGQEKZONQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4S/c1-2-3-7-11-8(6-4-14-5-6)13-9(10)12-7/h6H,2-5H2,1H3,(H2,10,11,12,13).
What are the key properties of 4-propyl-6-(thietan-3-yl)-1,3,5-triazin-2-amine?
4-propyl-6-(thietan-3-yl)-1,3,5-triazin-2-amine has a molecular weight of 210.31 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-6-(thietan-3-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 164648458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).