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

C9H17N5O3 — CID 587885

IUPAC2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)methyl-(2-hydroxyethyl)amino]ethanol
SMILESCOc1nc(N)nc(CN(CCO)CCO)n1
InChIInChI=1S/C9H17N5O3/c1-17-9-12-7(11-8(10)13-9)6-14(2-4-15)3-5-16/h15-16H,2-6H2,1H3,(H2,10,11,12,13)
InChIKeyCIKRAWUTSLYCCL-UHFFFAOYSA-N
MW243.27 g/mol
LogP-1.75
Rot. Bonds7

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

2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)methyl-(2-hydroxyethyl)amino]ethanol (PubChem CID 587885) has the molecular formula C9H17N5O3 and a molecular weight of 243.27 g/mol. Its IUPAC name is 2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)methyl-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)methyl-(2-hydroxyethyl)amino]ethanol
PubChem CID587885
Molecular FormulaC9H17N5O3
Molecular Weight243.27 g/mol
Exact Mass243.13
IUPAC Name2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)methyl-(2-hydroxyethyl)amino]ethanol
SMILESCOc1nc(N)nc(CN(CCO)CCO)n1
InChIInChI=1S/C9H17N5O3/c1-17-9-12-7(11-8(10)13-9)6-14(2-4-15)3-5-16/h15-16H,2-6H2,1H3,(H2,10,11,12,13)
InChIKeyCIKRAWUTSLYCCL-UHFFFAOYSA-N
XLogP-1.75
TPSA117.62 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 5-1.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)methyl-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)methyl-(2-hydroxyethyl)amino]ethanol (CID 587885) is 2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)methyl-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)methyl-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)methyl-(2-hydroxyethyl)amino]ethanol is COc1nc(N)nc(CN(CCO)CCO)n1.
What is the InChIKey of 2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)methyl-(2-hydroxyethyl)amino]ethanol?
The InChIKey is CIKRAWUTSLYCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O3/c1-17-9-12-7(11-8(10)13-9)6-14(2-4-15)3-5-16/h15-16H,2-6H2,1H3,(H2,10,11,12,13).
What are the key properties of 2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)methyl-(2-hydroxyethyl)amino]ethanol?
2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)methyl-(2-hydroxyethyl)amino]ethanol has a molecular weight of 243.27 g/mol, XLogP of -1.75, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)methyl-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 587885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).