2-[cyclohexyl-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]amino]ethanol

C12H22N6O — CID 60694589

IUPAC2-[cyclohexyl-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]amino]ethanol
SMILESNc1nc(N)nc(CN(CCO)C2CCCCC2)n1
InChIInChI=1S/C12H22N6O/c13-11-15-10(16-12(14)17-11)8-18(6-7-19)9-4-2-1-3-5-9/h9,19H,1-8H2,(H4,13,14,15,16,17)
InChIKeyAXAUTNFBUNAHCK-UHFFFAOYSA-N
MW266.35 g/mol
LogP0.16
Rot. Bonds5

About 2-[cyclohexyl-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]amino]ethanol

2-[cyclohexyl-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]amino]ethanol (PubChem CID 60694589) has the molecular formula C12H22N6O and a molecular weight of 266.35 g/mol. Its IUPAC name is 2-[cyclohexyl-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclohexyl-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]amino]ethanol
PubChem CID60694589
Molecular FormulaC12H22N6O
Molecular Weight266.35 g/mol
Exact Mass266.19
IUPAC Name2-[cyclohexyl-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]amino]ethanol
SMILESNc1nc(N)nc(CN(CCO)C2CCCCC2)n1
InChIInChI=1S/C12H22N6O/c13-11-15-10(16-12(14)17-11)8-18(6-7-19)9-4-2-1-3-5-9/h9,19H,1-8H2,(H4,13,14,15,16,17)
InChIKeyAXAUTNFBUNAHCK-UHFFFAOYSA-N
XLogP0.16
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[cyclohexyl-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]amino]ethanol with MolForge

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Related Compounds

2-[4-[1-[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]ethanol
CID 42926008
1-[1-[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperidin-4-ol
CID 18124363
2-[4-[(1R)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]ethanol
CID 40084403
2-[4-[(1S)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]ethanol
CID 40084405
1-[1-[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperidin-3-ol
CID 47129740
1-[(4,6-Diamino-1,3,5-triazin-2-yl)methyl]piperidin-3-ol
CID 60669690
2-[4-[(4,6-Diamino-1,3,5-triazin-2-yl)methyl]piperazin-1-yl]ethanol
CID 60670291
[1-[(4,6-Diamino-1,3,5-triazin-2-yl)methyl]piperidin-2-yl]methanol
CID 60685082
2-[(4,6-Diamino-1,3,5-triazin-2-yl)methyl-ethylamino]ethanol
CID 60686141
2-[(4,6-Diamino-1,3,5-triazin-2-yl)methyl-(2-hydroxyethyl)amino]ethanol
CID 60686671
2-[Butyl-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]amino]ethanol
CID 60689088
2-[1-[(4,6-Diamino-1,3,5-triazin-2-yl)methyl]piperidin-2-yl]ethanol
CID 60690303

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]amino]ethanol?
The IUPAC name of 2-[cyclohexyl-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]amino]ethanol (CID 60694589) is 2-[cyclohexyl-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[cyclohexyl-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[cyclohexyl-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]amino]ethanol is Nc1nc(N)nc(CN(CCO)C2CCCCC2)n1.
What is the InChIKey of 2-[cyclohexyl-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]amino]ethanol?
The InChIKey is AXAUTNFBUNAHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O/c13-11-15-10(16-12(14)17-11)8-18(6-7-19)9-4-2-1-3-5-9/h9,19H,1-8H2,(H4,13,14,15,16,17).
What are the key properties of 2-[cyclohexyl-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]amino]ethanol?
2-[cyclohexyl-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]amino]ethanol has a molecular weight of 266.35 g/mol, XLogP of 0.16, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]amino]ethanol is sourced from PubChem (CID 60694589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).