6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine

C7H13N5S — CID 608030

IUPAC6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCSc1nc(N)nc(NC(C)C)n1
InChIInChI=1S/C7H13N5S/c1-4(2)9-6-10-5(8)11-7(12-6)13-3/h4H,1-3H3,(H3,8,9,10,11,12)
InChIKeyPWERJYSEXWGFLB-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.00
Rot. Bonds3

About 6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine

6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine (PubChem CID 608030) has the molecular formula C7H13N5S and a molecular weight of 199.28 g/mol. Its IUPAC name is 6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
PubChem CID608030
Molecular FormulaC7H13N5S
Molecular Weight199.28 g/mol
Exact Mass199.09
IUPAC Name6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCSc1nc(N)nc(NC(C)C)n1
InChIInChI=1S/C7H13N5S/c1-4(2)9-6-10-5(8)11-7(12-6)13-3/h4H,1-3H3,(H3,8,9,10,11,12)
InChIKeyPWERJYSEXWGFLB-UHFFFAOYSA-N
XLogP1.00
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-methylsulfanyl-2-N-propan-2-yl-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 6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine (CID 608030) is 6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine is CSc1nc(N)nc(NC(C)C)n1.
What is the InChIKey of 6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is PWERJYSEXWGFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5S/c1-4(2)9-6-10-5(8)11-7(12-6)13-3/h4H,1-3H3,(H3,8,9,10,11,12).
What are the key properties of 6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 199.28 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 608030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).