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

C9H17N5O2 — CID 12937527

IUPAC2-[[4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol
SMILESCOc1nc(NCCO)nc(NC(C)C)n1
InChIInChI=1S/C9H17N5O2/c1-6(2)11-8-12-7(10-4-5-15)13-9(14-8)16-3/h6,15H,4-5H2,1-3H3,(H2,10,11,12,13,14)
InChIKeyRWNAOZYJBBSIFP-UHFFFAOYSA-N
MW227.27 g/mol
LogP0.10
Rot. Bonds6

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

2-[[4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 12937527) has the molecular formula C9H17N5O2 and a molecular weight of 227.27 g/mol. Its IUPAC name is 2-[[4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol
PubChem CID12937527
Molecular FormulaC9H17N5O2
Molecular Weight227.27 g/mol
Exact Mass227.14
IUPAC Name2-[[4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol
SMILESCOc1nc(NCCO)nc(NC(C)C)n1
InChIInChI=1S/C9H17N5O2/c1-6(2)11-8-12-7(10-4-5-15)13-9(14-8)16-3/h6,15H,4-5H2,1-3H3,(H2,10,11,12,13,14)
InChIKeyRWNAOZYJBBSIFP-UHFFFAOYSA-N
XLogP0.10
TPSA92.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol (CID 12937527) is 2-[[4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol is COc1nc(NCCO)nc(NC(C)C)n1.
What is the InChIKey of 2-[[4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol?
The InChIKey is RWNAOZYJBBSIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2/c1-6(2)11-8-12-7(10-4-5-15)13-9(14-8)16-3/h6,15H,4-5H2,1-3H3,(H2,10,11,12,13,14).
What are the key properties of 2-[[4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol?
2-[[4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 227.27 g/mol, XLogP of 0.10, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 12937527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).