2-N,2-N-diethyl-6-(3-methylbutylsulfanyl)-1,3,5-triazine-2,4-diamine

C12H23N5S — CID 107766044

IUPAC2-N,2-N-diethyl-6-(3-methylbutylsulfanyl)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(N)nc(SCCC(C)C)n1
InChIInChI=1S/C12H23N5S/c1-5-17(6-2)11-14-10(13)15-12(16-11)18-8-7-9(3)4/h9H,5-8H2,1-4H3,(H2,13,14,15,16)
InChIKeyMVTAYVWHNQZPQW-UHFFFAOYSA-N
MW269.42 g/mol
LogP2.44
Rot. Bonds7

About 2-N,2-N-diethyl-6-(3-methylbutylsulfanyl)-1,3,5-triazine-2,4-diamine

2-N,2-N-diethyl-6-(3-methylbutylsulfanyl)-1,3,5-triazine-2,4-diamine (PubChem CID 107766044) has the molecular formula C12H23N5S and a molecular weight of 269.42 g/mol. Its IUPAC name is 2-N,2-N-diethyl-6-(3-methylbutylsulfanyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-6-(3-methylbutylsulfanyl)-1,3,5-triazine-2,4-diamine
PubChem CID107766044
Molecular FormulaC12H23N5S
Molecular Weight269.42 g/mol
Exact Mass269.17
IUPAC Name2-N,2-N-diethyl-6-(3-methylbutylsulfanyl)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(N)nc(SCCC(C)C)n1
InChIInChI=1S/C12H23N5S/c1-5-17(6-2)11-14-10(13)15-12(16-11)18-8-7-9(3)4/h9H,5-8H2,1-4H3,(H2,13,14,15,16)
InChIKeyMVTAYVWHNQZPQW-UHFFFAOYSA-N
XLogP2.44
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.42
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-N,2-N-diethyl-6-propylsulfanyl-1,3,5-triazine-2,4-diamine
CID 80888494
3-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl]butan-1-ol
CID 80890311
6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
CID 80883734
1-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl]pyrrolidine-2,5-dione
CID 21488338
2-N-cyclopropyl-4-N,4-N-diethyl-2-N-(2-methylpropyl)-1,3,5-triazine-2,4,6-triamine
CID 80809874
2-N,2-N-diethyl-6-(2-methoxyphenyl)sulfanyl-1,3,5-triazine-2,4-diamine
CID 80883814
2-N,2-N-diethyl-4-N-[2-(3-methylbutoxy)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 80792543
2,4-dichloro-6-(3-methylbutylsulfanyl)-1,3,5-triazine
CID 107751337
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

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-6-(3-methylbutylsulfanyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-diethyl-6-(3-methylbutylsulfanyl)-1,3,5-triazine-2,4-diamine (CID 107766044) is 2-N,2-N-diethyl-6-(3-methylbutylsulfanyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-6-(3-methylbutylsulfanyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-diethyl-6-(3-methylbutylsulfanyl)-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(N)nc(SCCC(C)C)n1.
What is the InChIKey of 2-N,2-N-diethyl-6-(3-methylbutylsulfanyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is MVTAYVWHNQZPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5S/c1-5-17(6-2)11-14-10(13)15-12(16-11)18-8-7-9(3)4/h9H,5-8H2,1-4H3,(H2,13,14,15,16).
What are the key properties of 2-N,2-N-diethyl-6-(3-methylbutylsulfanyl)-1,3,5-triazine-2,4-diamine?
2-N,2-N-diethyl-6-(3-methylbutylsulfanyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 269.42 g/mol, XLogP of 2.44, 7 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-(3-methylbutylsulfanyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 107766044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).