2-[1-(4,6-diamino-1,3,5-triazin-2-yl)butan-2-ylamino]ethanol

C9H18N6O — CID 177125249

IUPAC2-[1-(4,6-diamino-1,3,5-triazin-2-yl)butan-2-ylamino]ethanol
SMILESCCC(Cc1nc(N)nc(N)n1)NCCO
InChIInChI=1S/C9H18N6O/c1-2-6(12-3-4-16)5-7-13-8(10)15-9(11)14-7/h6,12,16H,2-5H2,1H3,(H4,10,11,13,14,15)
InChIKeyRFYAVBSBAUITAN-UHFFFAOYSA-N
MW226.28 g/mol
LogP-1.06
Rot. Bonds6

About 2-[1-(4,6-diamino-1,3,5-triazin-2-yl)butan-2-ylamino]ethanol

2-[1-(4,6-diamino-1,3,5-triazin-2-yl)butan-2-ylamino]ethanol (PubChem CID 177125249) has the molecular formula C9H18N6O and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-[1-(4,6-diamino-1,3,5-triazin-2-yl)butan-2-ylamino]ethanol.

Molecular Properties

Compound Name2-[1-(4,6-diamino-1,3,5-triazin-2-yl)butan-2-ylamino]ethanol
PubChem CID177125249
Molecular FormulaC9H18N6O
Molecular Weight226.28 g/mol
Exact Mass226.15
IUPAC Name2-[1-(4,6-diamino-1,3,5-triazin-2-yl)butan-2-ylamino]ethanol
SMILESCCC(Cc1nc(N)nc(N)n1)NCCO
InChIInChI=1S/C9H18N6O/c1-2-6(12-3-4-16)5-7-13-8(10)15-9(11)14-7/h6,12,16H,2-5H2,1H3,(H4,10,11,13,14,15)
InChIKeyRFYAVBSBAUITAN-UHFFFAOYSA-N
XLogP-1.06
TPSA122.97 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-1.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

Ethanol, 2,2'-((4-(cyclopropylamino)-6-propyl-1,3,5-triazin-2-yl)imino)bis-, monohydrochloride
CID 3073350
Ethanol, 2,2'-((4-(cyclopropyl-6-(cyclorpopylamino)-1,3,5-triazin-2-yl)imino)bis-
CID 3073368
3-Azetidinol, 1-(4-(cyclopropylamino)-6-propyl-1,3,5-triazin-2-yl)-
CID 3073371
cis-(1S,2R)-2-[(4,6-dimethyl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol
CID 11020483
2-[4-Amino-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]ethanol
CID 90785234
2-[[4-(Cyclopropylamino)-6-propyl-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol
CID 3073351
[4-(2-Hydroxyethylamino)-6-octyl-1,3,5-triazin-2-yl]urea
CID 4380293
2-[[4-Methyl-6-[3-(methylamino)propylamino]-1,3,5-triazin-2-yl]amino]ethanol
CID 18724880
2-[[4-Methyl-6-(methylaminomethylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 20707477
2-[[4-Methyl-6-[2-[2-(methylamino)ethoxy]ethyl]-1,3,5-triazin-2-yl]amino]ethanol
CID 20778491
2-[[4-Methyl-6-[2-(methylamino)ethyl]-1,3,5-triazin-2-yl]amino]ethanol
CID 20778493
2-[(4-Chloro-6-propyl-1,3,5-triazin-2-yl)amino]-ethanol
CID 22167007

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4,6-diamino-1,3,5-triazin-2-yl)butan-2-ylamino]ethanol?
The IUPAC name of 2-[1-(4,6-diamino-1,3,5-triazin-2-yl)butan-2-ylamino]ethanol (CID 177125249) is 2-[1-(4,6-diamino-1,3,5-triazin-2-yl)butan-2-ylamino]ethanol.
What is the SMILES notation for 2-[1-(4,6-diamino-1,3,5-triazin-2-yl)butan-2-ylamino]ethanol?
The canonical SMILES for 2-[1-(4,6-diamino-1,3,5-triazin-2-yl)butan-2-ylamino]ethanol is CCC(Cc1nc(N)nc(N)n1)NCCO.
What is the InChIKey of 2-[1-(4,6-diamino-1,3,5-triazin-2-yl)butan-2-ylamino]ethanol?
The InChIKey is RFYAVBSBAUITAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N6O/c1-2-6(12-3-4-16)5-7-13-8(10)15-9(11)14-7/h6,12,16H,2-5H2,1H3,(H4,10,11,13,14,15).
What are the key properties of 2-[1-(4,6-diamino-1,3,5-triazin-2-yl)butan-2-ylamino]ethanol?
2-[1-(4,6-diamino-1,3,5-triazin-2-yl)butan-2-ylamino]ethanol has a molecular weight of 226.28 g/mol, XLogP of -1.06, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4,6-diamino-1,3,5-triazin-2-yl)butan-2-ylamino]ethanol is sourced from PubChem (CID 177125249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).