6-methylsulfinyl-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine

C10H19N5OS — CID 537563

IUPAC6-methylsulfinyl-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)Nc1nc(NC(C)C)nc(S(C)=O)n1
InChIInChI=1S/C10H19N5OS/c1-6(2)11-8-13-9(12-7(3)4)15-10(14-8)17(5)16/h6-7H,1-5H3,(H2,11,12,13,14,15)
InChIKeyHQYUMPWBGTUHSK-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.25
Rot. Bonds5

About 6-methylsulfinyl-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine

6-methylsulfinyl-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 537563) has the molecular formula C10H19N5OS and a molecular weight of 257.36 g/mol. Its IUPAC name is 6-methylsulfinyl-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-methylsulfinyl-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID537563
Molecular FormulaC10H19N5OS
Molecular Weight257.36 g/mol
Exact Mass257.13
IUPAC Name6-methylsulfinyl-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)Nc1nc(NC(C)C)nc(S(C)=O)n1
InChIInChI=1S/C10H19N5OS/c1-6(2)11-8-13-9(12-7(3)4)15-10(14-8)17(5)16/h6-7H,1-5H3,(H2,11,12,13,14,15)
InChIKeyHQYUMPWBGTUHSK-UHFFFAOYSA-N
XLogP1.25
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methylsulfinyl-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-methylsulfinyl-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine (CID 537563) is 6-methylsulfinyl-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-methylsulfinyl-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-methylsulfinyl-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine is CC(C)Nc1nc(NC(C)C)nc(S(C)=O)n1.
What is the InChIKey of 6-methylsulfinyl-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is HQYUMPWBGTUHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5OS/c1-6(2)11-8-13-9(12-7(3)4)15-10(14-8)17(5)16/h6-7H,1-5H3,(H2,11,12,13,14,15).
What are the key properties of 6-methylsulfinyl-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine?
6-methylsulfinyl-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 257.36 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfinyl-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 537563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).