1-tert-butyl-2-cyclopropyl-4-methylsulfanyl-2H-1,3,5-triazine

C11H19N3S — CID 141104429

IUPAC1-tert-butyl-2-cyclopropyl-4-methylsulfanyl-2H-1,3,5-triazine
SMILESCSC1=NC(C2CC2)N(C(C)(C)C)C=N1
InChIInChI=1S/C11H19N3S/c1-11(2,3)14-7-12-10(15-4)13-9(14)8-5-6-8/h7-9H,5-6H2,1-4H3
InChIKeyJENZWWRZIKYLAO-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.58
Rot. Bonds1

About 1-tert-butyl-2-cyclopropyl-4-methylsulfanyl-2H-1,3,5-triazine

1-tert-butyl-2-cyclopropyl-4-methylsulfanyl-2H-1,3,5-triazine (PubChem CID 141104429) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 1-tert-butyl-2-cyclopropyl-4-methylsulfanyl-2H-1,3,5-triazine.

Molecular Properties

Compound Name1-tert-butyl-2-cyclopropyl-4-methylsulfanyl-2H-1,3,5-triazine
PubChem CID141104429
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name1-tert-butyl-2-cyclopropyl-4-methylsulfanyl-2H-1,3,5-triazine
SMILESCSC1=NC(C2CC2)N(C(C)(C)C)C=N1
InChIInChI=1S/C11H19N3S/c1-11(2,3)14-7-12-10(15-4)13-9(14)8-5-6-8/h7-9H,5-6H2,1-4H3
InChIKeyJENZWWRZIKYLAO-UHFFFAOYSA-N
XLogP2.58
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-tert-butyl-1-ethyl-2-methylsulfanyl-2H-1,3,5-triazin-1-ium
CID 66728291
1-ethyl-1-(3-methylbutan-2-yl)-2-methylsulfanyl-2H-1,3,5-triazin-1-ium
CID 67869336
1-tert-butyl-1-ethyl-6-methylsulfanyl-2H-1,3,5-triazin-1-ium
CID 123142808
3-Tert-butyl-1-cyclopropyl-6-methylsulfanyl-2,4-dihydro-1,3,5-triazine
CID 141169218
methyl N'-cyano-N-(cyclopropylmethyl)-N-propan-2-ylcarbamimidothioate
CID 80488783
methyl N'-cyano-N-(cyclopropylmethyl)-N-propylcarbamimidothioate
CID 80489915

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-cyclopropyl-4-methylsulfanyl-2H-1,3,5-triazine?
The IUPAC name of 1-tert-butyl-2-cyclopropyl-4-methylsulfanyl-2H-1,3,5-triazine (CID 141104429) is 1-tert-butyl-2-cyclopropyl-4-methylsulfanyl-2H-1,3,5-triazine.
What is the SMILES notation for 1-tert-butyl-2-cyclopropyl-4-methylsulfanyl-2H-1,3,5-triazine?
The canonical SMILES for 1-tert-butyl-2-cyclopropyl-4-methylsulfanyl-2H-1,3,5-triazine is CSC1=NC(C2CC2)N(C(C)(C)C)C=N1.
What is the InChIKey of 1-tert-butyl-2-cyclopropyl-4-methylsulfanyl-2H-1,3,5-triazine?
The InChIKey is JENZWWRZIKYLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-11(2,3)14-7-12-10(15-4)13-9(14)8-5-6-8/h7-9H,5-6H2,1-4H3.
What are the key properties of 1-tert-butyl-2-cyclopropyl-4-methylsulfanyl-2H-1,3,5-triazine?
1-tert-butyl-2-cyclopropyl-4-methylsulfanyl-2H-1,3,5-triazine has a molecular weight of 225.36 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-cyclopropyl-4-methylsulfanyl-2H-1,3,5-triazine is sourced from PubChem (CID 141104429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).