2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-2-ethylbutan-1-ol

C11H22N6O — CID 80831979

IUPAC2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)Nc1nc(N)nc(N(C)C)n1
InChIInChI=1S/C11H22N6O/c1-5-11(6-2,7-18)16-9-13-8(12)14-10(15-9)17(3)4/h18H,5-7H2,1-4H3,(H3,12,13,14,15,16)
InChIKeyJFCZFGHUGKRHPC-UHFFFAOYSA-N
MW254.34 g/mol
LogP0.48
Rot. Bonds6

About 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-2-ethylbutan-1-ol

2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-2-ethylbutan-1-ol (PubChem CID 80831979) has the molecular formula C11H22N6O and a molecular weight of 254.34 g/mol. Its IUPAC name is 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-2-ethylbutan-1-ol
PubChem CID80831979
Molecular FormulaC11H22N6O
Molecular Weight254.34 g/mol
Exact Mass254.19
IUPAC Name2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)Nc1nc(N)nc(N(C)C)n1
InChIInChI=1S/C11H22N6O/c1-5-11(6-2,7-18)16-9-13-8(12)14-10(15-9)17(3)4/h18H,5-7H2,1-4H3,(H3,12,13,14,15,16)
InChIKeyJFCZFGHUGKRHPC-UHFFFAOYSA-N
XLogP0.48
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-2-ethylpropane-1,3-diol
CID 107868692
2-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-ethylpropane-1,3-diol
CID 107868608
3-[[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]pentan-3-ol
CID 80842330
2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol
CID 80849056
[2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]cyclopentyl]methanol
CID 106368117
ethyl 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]acetate
CID 80789784
1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]pentan-2-ol
CID 113496716
4-N-(2,2-dimethylheptyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80852626
1-[[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]cycloheptan-1-ol
CID 80843227
2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N-propylacetamide
CID 80786919
2-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107855687
4-N-[2-[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]amino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 130243747

Frequently Asked Questions

What is the IUPAC name of 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-2-ethylbutan-1-ol?
The IUPAC name of 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-2-ethylbutan-1-ol (CID 80831979) is 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-2-ethylbutan-1-ol is CCC(CC)(CO)Nc1nc(N)nc(N(C)C)n1.
What is the InChIKey of 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-2-ethylbutan-1-ol?
The InChIKey is JFCZFGHUGKRHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N6O/c1-5-11(6-2,7-18)16-9-13-8(12)14-10(15-9)17(3)4/h18H,5-7H2,1-4H3,(H3,12,13,14,15,16).
What are the key properties of 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-2-ethylbutan-1-ol?
2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-2-ethylbutan-1-ol has a molecular weight of 254.34 g/mol, XLogP of 0.48, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-2-ethylbutan-1-ol is sourced from PubChem (CID 80831979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).