1-tert-butyl-2-N-cyclopropyl-6-methylsulfanyl-2H-1,3,5-triazine-2,4-diamine

C11H21N5S — CID 91264230

IUPAC1-tert-butyl-2-N-cyclopropyl-6-methylsulfanyl-2H-1,3,5-triazine-2,4-diamine
SMILESCSC1=NC(N)=NC(NC2CC2)N1C(C)(C)C
InChIInChI=1S/C11H21N5S/c1-11(2,3)16-9(13-7-5-6-7)14-8(12)15-10(16)17-4/h7,9,13H,5-6H2,1-4H3,(H2,12,14)
InChIKeyBPCDFPIPLVMCLV-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.17
Rot. Bonds2

About 1-tert-butyl-2-N-cyclopropyl-6-methylsulfanyl-2H-1,3,5-triazine-2,4-diamine

1-tert-butyl-2-N-cyclopropyl-6-methylsulfanyl-2H-1,3,5-triazine-2,4-diamine (PubChem CID 91264230) has the molecular formula C11H21N5S and a molecular weight of 255.39 g/mol. Its IUPAC name is 1-tert-butyl-2-N-cyclopropyl-6-methylsulfanyl-2H-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name1-tert-butyl-2-N-cyclopropyl-6-methylsulfanyl-2H-1,3,5-triazine-2,4-diamine
PubChem CID91264230
Molecular FormulaC11H21N5S
Molecular Weight255.39 g/mol
Exact Mass255.15
IUPAC Name1-tert-butyl-2-N-cyclopropyl-6-methylsulfanyl-2H-1,3,5-triazine-2,4-diamine
SMILESCSC1=NC(N)=NC(NC2CC2)N1C(C)(C)C
InChIInChI=1S/C11H21N5S/c1-11(2,3)16-9(13-7-5-6-7)14-8(12)15-10(16)17-4/h7,9,13H,5-6H2,1-4H3,(H2,12,14)
InChIKeyBPCDFPIPLVMCLV-UHFFFAOYSA-N
XLogP1.17
TPSA66.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-tert-butyl-2-N-cyclopropyl-6-methylsulfanyl-2H-1,3,5-triazine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-N-cyclopropyl-6-methylsulfanyl-2H-1,3,5-triazine-2,4-diamine?
The IUPAC name of 1-tert-butyl-2-N-cyclopropyl-6-methylsulfanyl-2H-1,3,5-triazine-2,4-diamine (CID 91264230) is 1-tert-butyl-2-N-cyclopropyl-6-methylsulfanyl-2H-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 1-tert-butyl-2-N-cyclopropyl-6-methylsulfanyl-2H-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 1-tert-butyl-2-N-cyclopropyl-6-methylsulfanyl-2H-1,3,5-triazine-2,4-diamine is CSC1=NC(N)=NC(NC2CC2)N1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-2-N-cyclopropyl-6-methylsulfanyl-2H-1,3,5-triazine-2,4-diamine?
The InChIKey is BPCDFPIPLVMCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5S/c1-11(2,3)16-9(13-7-5-6-7)14-8(12)15-10(16)17-4/h7,9,13H,5-6H2,1-4H3,(H2,12,14).
What are the key properties of 1-tert-butyl-2-N-cyclopropyl-6-methylsulfanyl-2H-1,3,5-triazine-2,4-diamine?
1-tert-butyl-2-N-cyclopropyl-6-methylsulfanyl-2H-1,3,5-triazine-2,4-diamine has a molecular weight of 255.39 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-N-cyclopropyl-6-methylsulfanyl-2H-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 91264230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).