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

C12H23N5O — CID 80862184

IUPAC2-N,2-N-diethyl-6-(2-methylbutan-2-yloxy)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(N)nc(OC(C)(C)CC)n1
InChIInChI=1S/C12H23N5O/c1-6-12(4,5)18-11-15-9(13)14-10(16-11)17(7-2)8-3/h6-8H2,1-5H3,(H2,13,14,15,16)
InChIKeyZZYYHBVNCWJCKD-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.87
Rot. Bonds6

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

2-N,2-N-diethyl-6-(2-methylbutan-2-yloxy)-1,3,5-triazine-2,4-diamine (PubChem CID 80862184) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-N,2-N-diethyl-6-(2-methylbutan-2-yloxy)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-6-(2-methylbutan-2-yloxy)-1,3,5-triazine-2,4-diamine
PubChem CID80862184
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name2-N,2-N-diethyl-6-(2-methylbutan-2-yloxy)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(N)nc(OC(C)(C)CC)n1
InChIInChI=1S/C12H23N5O/c1-6-12(4,5)18-11-15-9(13)14-10(16-11)17(7-2)8-3/h6-8H2,1-5H3,(H2,13,14,15,16)
InChIKeyZZYYHBVNCWJCKD-UHFFFAOYSA-N
XLogP1.87
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N,N-diethyl-6-(2-methylbutan-2-yloxy)-1,3,5-triazin-2-amine
CID 62868921
2-N,2-N,4-N-triethyl-6-(2-methylbutan-2-yloxy)-1,3,5-triazine-2,4-diamine
CID 80861619
2-N,2-N-diethyl-6-(3-methoxypropoxy)-1,3,5-triazine-2,4-diamine
CID 80865247
1-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-ethylamino]-2-methylpropan-2-ol
CID 80848467
2-N,2-N,4-N-triethyl-4-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 80774543
2-N,2-N-diethyl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine-2,4-diamine
CID 82795125
2-N,2-N-diethyl-6-(2-propoxyethoxy)-1,3,5-triazine-2,4-diamine
CID 80876870
1-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)-ethylamino]-2-methylpropan-2-ol
CID 80848544
2-N,2-N-diethyl-6-(4-fluorophenoxy)-1,3,5-triazine-2,4-diamine
CID 80869066
2-N,2-N-diethyl-6-(4-iodophenoxy)-1,3,5-triazine-2,4-diamine
CID 80880955
2-N,2-N-diethyl-6-(oxan-4-yloxy)-1,3,5-triazine-2,4-diamine
CID 80872901
2-N-[3-(diethylamino)propyl]-2-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 102998962

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-6-(2-methylbutan-2-yloxy)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-diethyl-6-(2-methylbutan-2-yloxy)-1,3,5-triazine-2,4-diamine (CID 80862184) is 2-N,2-N-diethyl-6-(2-methylbutan-2-yloxy)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-6-(2-methylbutan-2-yloxy)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-diethyl-6-(2-methylbutan-2-yloxy)-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(N)nc(OC(C)(C)CC)n1.
What is the InChIKey of 2-N,2-N-diethyl-6-(2-methylbutan-2-yloxy)-1,3,5-triazine-2,4-diamine?
The InChIKey is ZZYYHBVNCWJCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-6-12(4,5)18-11-15-9(13)14-10(16-11)17(7-2)8-3/h6-8H2,1-5H3,(H2,13,14,15,16).
What are the key properties of 2-N,2-N-diethyl-6-(2-methylbutan-2-yloxy)-1,3,5-triazine-2,4-diamine?
2-N,2-N-diethyl-6-(2-methylbutan-2-yloxy)-1,3,5-triazine-2,4-diamine has a molecular weight of 253.35 g/mol, XLogP of 1.87, 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-(2-methylbutan-2-yloxy)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80862184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).