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

C10H19N5S — CID 12876595

IUPAC6-methylsulfanyl-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(NCCC)nc(SC)n1
InChIInChI=1S/C10H19N5S/c1-4-6-11-8-13-9(12-7-5-2)15-10(14-8)16-3/h4-7H2,1-3H3,(H2,11,12,13,14,15)
InChIKeyPKWYTBZCHRTWAL-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.24
Rot. Bonds7

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

6-methylsulfanyl-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine (PubChem CID 12876595) has the molecular formula C10H19N5S and a molecular weight of 241.36 g/mol. Its IUPAC name is 6-methylsulfanyl-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-methylsulfanyl-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
PubChem CID12876595
Molecular FormulaC10H19N5S
Molecular Weight241.36 g/mol
Exact Mass241.14
IUPAC Name6-methylsulfanyl-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(NCCC)nc(SC)n1
InChIInChI=1S/C10H19N5S/c1-4-6-11-8-13-9(12-7-5-2)15-10(14-8)16-3/h4-7H2,1-3H3,(H2,11,12,13,14,15)
InChIKeyPKWYTBZCHRTWAL-UHFFFAOYSA-N
XLogP2.24
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Ametryn
CID 13263
Terbutryn
CID 13450
Prometryn
CID 4929
Irgarol
CID 91590
Simetryn
CID 13905
Aziprotryne
CID 3032472
Methoprotryne
CID 13290
Desmetryn
CID 13904
Dimethametryn
CID 31573
2,4-Bis((3-methoxypropyl)amino)-6-(methylthio)-s-triazine
CID 13305
Dipropetryn
CID 20105
Deethylametryne
CID 608030

Frequently Asked Questions

What is the IUPAC name of 6-methylsulfanyl-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-methylsulfanyl-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine (CID 12876595) is 6-methylsulfanyl-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-methylsulfanyl-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-methylsulfanyl-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine is CCCNc1nc(NCCC)nc(SC)n1.
What is the InChIKey of 6-methylsulfanyl-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine?
The InChIKey is PKWYTBZCHRTWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5S/c1-4-6-11-8-13-9(12-7-5-2)15-10(14-8)16-3/h4-7H2,1-3H3,(H2,11,12,13,14,15).
What are the key properties of 6-methylsulfanyl-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine?
6-methylsulfanyl-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine has a molecular weight of 241.36 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfanyl-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 12876595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).