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

C12H23N5O2S — CID 13305

IUPAC2-N,4-N-bis(3-methoxypropyl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
SMILESCOCCCNc1nc(NCCCOC)nc(SC)n1
InChIInChI=1S/C12H23N5O2S/c1-18-8-4-6-13-10-15-11(14-7-5-9-19-2)17-12(16-10)20-3/h4-9H2,1-3H3,(H2,13,14,15,16,17)
InChIKeyFBMDQVBGIYSDTI-UHFFFAOYSA-N
MW301.42 g/mol
LogP1.49
Rot. Bonds11

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

2-N,4-N-bis(3-methoxypropyl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine (PubChem CID 13305) has the molecular formula C12H23N5O2S and a molecular weight of 301.42 g/mol. Its IUPAC name is 2-N,4-N-bis(3-methoxypropyl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis(3-methoxypropyl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
PubChem CID13305
Molecular FormulaC12H23N5O2S
Molecular Weight301.42 g/mol
Exact Mass301.16
IUPAC Name2-N,4-N-bis(3-methoxypropyl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
SMILESCOCCCNc1nc(NCCCOC)nc(SC)n1
InChIInChI=1S/C12H23N5O2S/c1-18-8-4-6-13-10-15-11(14-7-5-9-19-2)17-12(16-10)20-3/h4-9H2,1-3H3,(H2,13,14,15,16,17)
InChIKeyFBMDQVBGIYSDTI-UHFFFAOYSA-N
XLogP1.49
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-N,4-N-bis(3-methoxypropyl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

Methoprotryne
CID 13290
6-(Methylsulfanyl)-N~2~,N~4~-dipropyl-1,3,5-triazine-2,4-diamine
CID 12876595
Methometon
CID 15677
6-chloro-2-N,4-N-bis(3-methoxypropyl)-1,3,5-triazine-2,4-diamine
CID 18906
1,3,5-Triazine-2,4-diamine, 6-((difluoromethyl)thio)-N-ethyl-N'-(3-methoxypropyl)-
CID 190516
1,3,5-Triazine-2,4-diamine, 6-((difluoromethyl)thio)-N2-(3-methoxypropyl)-N4-(1-methylethyl)-
CID 190530
2-N,4-N-bis(3-propoxypropyl)-1,3,5-triazine-2,4,6-triamine
CID 235080
2-Methylmercapto-4-(2-methoxyethylamino)-6-isopropylamino-s-triazine
CID 14574260
[4-(Ethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]-dimethyl-propylazanium
CID 17825529
N-(3-methoxypropyl)-4-methylsulfanyl-1,3,5-triazin-2-amine
CID 19390452
2-N,4-N-bis(1-aminopropyl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
CID 20143853
2-N-methoxy-6-methylsulfanyl-4-N-propan-2-yl-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 20189783

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(3-methoxypropyl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-bis(3-methoxypropyl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine (CID 13305) is 2-N,4-N-bis(3-methoxypropyl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis(3-methoxypropyl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis(3-methoxypropyl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine is COCCCNc1nc(NCCCOC)nc(SC)n1.
What is the InChIKey of 2-N,4-N-bis(3-methoxypropyl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine?
The InChIKey is FBMDQVBGIYSDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2S/c1-18-8-4-6-13-10-15-11(14-7-5-9-19-2)17-12(16-10)20-3/h4-9H2,1-3H3,(H2,13,14,15,16,17).
What are the key properties of 2-N,4-N-bis(3-methoxypropyl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine?
2-N,4-N-bis(3-methoxypropyl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine has a molecular weight of 301.42 g/mol, XLogP of 1.49, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(3-methoxypropyl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 13305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).