6-butylsulfanyl-2-N,2-N-diethyl-4-N-propyl-1,3,5-triazine-2,4-diamine

C14H27N5S — CID 80884317

IUPAC6-butylsulfanyl-2-N,2-N-diethyl-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCCSc1nc(NCCC)nc(N(CC)CC)n1
InChIInChI=1S/C14H27N5S/c1-5-9-11-20-14-17-12(15-10-6-2)16-13(18-14)19(7-3)8-4/h5-11H2,1-4H3,(H,15,16,17,18)
InChIKeyACZVMDAFYGFYCQ-UHFFFAOYSA-N
MW297.47 g/mol
LogP3.43
Rot. Bonds10

About 6-butylsulfanyl-2-N,2-N-diethyl-4-N-propyl-1,3,5-triazine-2,4-diamine

6-butylsulfanyl-2-N,2-N-diethyl-4-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 80884317) has the molecular formula C14H27N5S and a molecular weight of 297.47 g/mol. Its IUPAC name is 6-butylsulfanyl-2-N,2-N-diethyl-4-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-butylsulfanyl-2-N,2-N-diethyl-4-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID80884317
Molecular FormulaC14H27N5S
Molecular Weight297.47 g/mol
Exact Mass297.20
IUPAC Name6-butylsulfanyl-2-N,2-N-diethyl-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCCSc1nc(NCCC)nc(N(CC)CC)n1
InChIInChI=1S/C14H27N5S/c1-5-9-11-20-14-17-12(15-10-6-2)16-13(18-14)19(7-3)8-4/h5-11H2,1-4H3,(H,15,16,17,18)
InChIKeyACZVMDAFYGFYCQ-UHFFFAOYSA-N
XLogP3.43
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-butylsulfanyl-2-N,2-N-diethyl-4-N-propyl-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

3-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol
CID 80890568
3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol
CID 80890395
4,6-bis(hexylsulfanyl)-N-pentyl-1,3,5-triazin-2-amine
CID 19935568
2-N,2-N-diethyl-4-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80765267
6-butoxy-2-N,2-N-diethyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80865178
2-N,2-N-dimethyl-6-(2-methylsulfonylethylsulfanyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80882836
6-[6-[[4-(diethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]disulfanyl]hexyldisulfanyl]-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine
CID 110191274
6-[[4-(diethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]trisulfanyl]-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine
CID 54292707
6-chloro-2-N,2-N-diethyl-4-N-(2-methylsulfanylethyl)-1,3,5-triazine-2,4-diamine
CID 63959456
2-N-ethyl-4-N,4-N-dimethyl-2-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine
CID 80774261
3-[[4-(diethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]cyclobutan-1-ol
CID 80832237
2-N,2-N-diethyl-6-propylsulfanyl-1,3,5-triazine-2,4-diamine
CID 80888494

Frequently Asked Questions

What is the IUPAC name of 6-butylsulfanyl-2-N,2-N-diethyl-4-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-butylsulfanyl-2-N,2-N-diethyl-4-N-propyl-1,3,5-triazine-2,4-diamine (CID 80884317) is 6-butylsulfanyl-2-N,2-N-diethyl-4-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-butylsulfanyl-2-N,2-N-diethyl-4-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-butylsulfanyl-2-N,2-N-diethyl-4-N-propyl-1,3,5-triazine-2,4-diamine is CCCCSc1nc(NCCC)nc(N(CC)CC)n1.
What is the InChIKey of 6-butylsulfanyl-2-N,2-N-diethyl-4-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is ACZVMDAFYGFYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5S/c1-5-9-11-20-14-17-12(15-10-6-2)16-13(18-14)19(7-3)8-4/h5-11H2,1-4H3,(H,15,16,17,18).
What are the key properties of 6-butylsulfanyl-2-N,2-N-diethyl-4-N-propyl-1,3,5-triazine-2,4-diamine?
6-butylsulfanyl-2-N,2-N-diethyl-4-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 297.47 g/mol, XLogP of 3.43, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butylsulfanyl-2-N,2-N-diethyl-4-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80884317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).