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

C10H19N5S — CID 80888494

IUPAC2-N,2-N-diethyl-6-propylsulfanyl-1,3,5-triazine-2,4-diamine
SMILESCCCSc1nc(N)nc(N(CC)CC)n1
InChIInChI=1S/C10H19N5S/c1-4-7-16-10-13-8(11)12-9(14-10)15(5-2)6-3/h4-7H2,1-3H3,(H2,11,12,13,14)
InChIKeySAGFMZHYNWMPOA-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.80
Rot. Bonds6

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

2-N,2-N-diethyl-6-propylsulfanyl-1,3,5-triazine-2,4-diamine (PubChem CID 80888494) has the molecular formula C10H19N5S and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-N,2-N-diethyl-6-propylsulfanyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-6-propylsulfanyl-1,3,5-triazine-2,4-diamine
PubChem CID80888494
Molecular FormulaC10H19N5S
Molecular Weight241.36 g/mol
Exact Mass241.14
IUPAC Name2-N,2-N-diethyl-6-propylsulfanyl-1,3,5-triazine-2,4-diamine
SMILESCCCSc1nc(N)nc(N(CC)CC)n1
InChIInChI=1S/C10H19N5S/c1-4-7-16-10-13-8(11)12-9(14-10)15(5-2)6-3/h4-7H2,1-3H3,(H2,11,12,13,14)
InChIKeySAGFMZHYNWMPOA-UHFFFAOYSA-N
XLogP1.80
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-N,2-N-diethyl-6-(3-methylbutylsulfanyl)-1,3,5-triazine-2,4-diamine
CID 107766044
6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
CID 80883734
3-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl]butan-1-ol
CID 80890311
1-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl]pyrrolidine-2,5-dione
CID 21488338
2-N,2-N,4-N-triethyl-4-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 80774543
6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
CID 102927066
2-N,2-N-diethyl-6-(4-methylpyrimidin-2-yl)sulfanyl-1,3,5-triazine-2,4-diamine
CID 80891744
2-N,2-N-diethyl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazine-2,4-diamine
CID 80885759
2-N,2-N-diethyl-4-N-methyl-4-N-(2-methylsulfanylethyl)-1,3,5-triazine-2,4,6-triamine
CID 112667625
6-(3-bromophenyl)sulfanyl-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
CID 80888786
6-[(5-chloro-2-pyridinyl)sulfanyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
CID 80891433
2-N,2-N-diethyl-6-(1-methylimidazol-2-yl)sulfanyl-1,3,5-triazine-2,4-diamine
CID 80887073

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-6-propylsulfanyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-diethyl-6-propylsulfanyl-1,3,5-triazine-2,4-diamine (CID 80888494) is 2-N,2-N-diethyl-6-propylsulfanyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-6-propylsulfanyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-diethyl-6-propylsulfanyl-1,3,5-triazine-2,4-diamine is CCCSc1nc(N)nc(N(CC)CC)n1.
What is the InChIKey of 2-N,2-N-diethyl-6-propylsulfanyl-1,3,5-triazine-2,4-diamine?
The InChIKey is SAGFMZHYNWMPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5S/c1-4-7-16-10-13-8(11)12-9(14-10)15(5-2)6-3/h4-7H2,1-3H3,(H2,11,12,13,14).
What are the key properties of 2-N,2-N-diethyl-6-propylsulfanyl-1,3,5-triazine-2,4-diamine?
2-N,2-N-diethyl-6-propylsulfanyl-1,3,5-triazine-2,4-diamine has a molecular weight of 241.36 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-6-propylsulfanyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80888494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).