4-(2-methyloxolan-3-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine

C9H14N4OS — CID 83084715

IUPAC4-(2-methyloxolan-3-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(C2CCOC2C)n1
InChIInChI=1S/C9H14N4OS/c1-5-6(3-4-14-5)7-11-8(10)13-9(12-7)15-2/h5-6H,3-4H2,1-2H3,(H2,10,11,12,13)
InChIKeyWJYCREVQZKYAEV-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.07
Rot. Bonds2

About 4-(2-methyloxolan-3-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine

4-(2-methyloxolan-3-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine (PubChem CID 83084715) has the molecular formula C9H14N4OS and a molecular weight of 226.30 g/mol. Its IUPAC name is 4-(2-methyloxolan-3-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-methyloxolan-3-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
PubChem CID83084715
Molecular FormulaC9H14N4OS
Molecular Weight226.30 g/mol
Exact Mass226.09
IUPAC Name4-(2-methyloxolan-3-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(C2CCOC2C)n1
InChIInChI=1S/C9H14N4OS/c1-5-6(3-4-14-5)7-11-8(10)13-9(12-7)15-2/h5-6H,3-4H2,1-2H3,(H2,10,11,12,13)
InChIKeyWJYCREVQZKYAEV-UHFFFAOYSA-N
XLogP1.07
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyloxolan-3-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-methyloxolan-3-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine (CID 83084715) is 4-(2-methyloxolan-3-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-methyloxolan-3-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-methyloxolan-3-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine is CSc1nc(N)nc(C2CCOC2C)n1.
What is the InChIKey of 4-(2-methyloxolan-3-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The InChIKey is WJYCREVQZKYAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c1-5-6(3-4-14-5)7-11-8(10)13-9(12-7)15-2/h5-6H,3-4H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 4-(2-methyloxolan-3-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
4-(2-methyloxolan-3-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine has a molecular weight of 226.30 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyloxolan-3-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 83084715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).