2-N,4-N-bis(2-methylpropyl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine

C12H23N5S — CID 155811637

IUPAC2-N,4-N-bis(2-methylpropyl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
SMILESCSc1nc(NCC(C)C)nc(NCC(C)C)n1
InChIInChI=1S/C12H23N5S/c1-8(2)6-13-10-15-11(14-7-9(3)4)17-12(16-10)18-5/h8-9H,6-7H2,1-5H3,(H2,13,14,15,16,17)
InChIKeyUSPXJPPPELRPAI-UHFFFAOYSA-N
MW269.42 g/mol
LogP2.73
Rot. Bonds7

About 2-N,4-N-bis(2-methylpropyl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine

2-N,4-N-bis(2-methylpropyl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine (PubChem CID 155811637) has the molecular formula C12H23N5S and a molecular weight of 269.42 g/mol. Its IUPAC name is 2-N,4-N-bis(2-methylpropyl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis(2-methylpropyl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
PubChem CID155811637
Molecular FormulaC12H23N5S
Molecular Weight269.42 g/mol
Exact Mass269.17
IUPAC Name2-N,4-N-bis(2-methylpropyl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
SMILESCSc1nc(NCC(C)C)nc(NCC(C)C)n1
InChIInChI=1S/C12H23N5S/c1-8(2)6-13-10-15-11(14-7-9(3)4)17-12(16-10)18-5/h8-9H,6-7H2,1-5H3,(H2,13,14,15,16,17)
InChIKeyUSPXJPPPELRPAI-UHFFFAOYSA-N
XLogP2.73
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.42
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(2-methylpropyl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-bis(2-methylpropyl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine (CID 155811637) is 2-N,4-N-bis(2-methylpropyl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis(2-methylpropyl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis(2-methylpropyl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine is CSc1nc(NCC(C)C)nc(NCC(C)C)n1.
What is the InChIKey of 2-N,4-N-bis(2-methylpropyl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine?
The InChIKey is USPXJPPPELRPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5S/c1-8(2)6-13-10-15-11(14-7-9(3)4)17-12(16-10)18-5/h8-9H,6-7H2,1-5H3,(H2,13,14,15,16,17).
What are the key properties of 2-N,4-N-bis(2-methylpropyl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine?
2-N,4-N-bis(2-methylpropyl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine has a molecular weight of 269.42 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(2-methylpropyl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 155811637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).