[4-(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-6-methylmorpholin-2-yl]methanol

C11H19N5O3 — CID 102939089

IUPAC[4-(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-6-methylmorpholin-2-yl]methanol
SMILESCCOc1nc(N)nc(N2CC(C)OC(CO)C2)n1
InChIInChI=1S/C11H19N5O3/c1-3-18-11-14-9(12)13-10(15-11)16-4-7(2)19-8(5-16)6-17/h7-8,17H,3-6H2,1-2H3,(H2,12,13,14,15)
InChIKeyJCMVQHIKUYHKBB-UHFFFAOYSA-N
MW269.31 g/mol
LogP-0.56
Rot. Bonds4

About [4-(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-6-methylmorpholin-2-yl]methanol

[4-(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-6-methylmorpholin-2-yl]methanol (PubChem CID 102939089) has the molecular formula C11H19N5O3 and a molecular weight of 269.31 g/mol. Its IUPAC name is [4-(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-6-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-6-methylmorpholin-2-yl]methanol
PubChem CID102939089
Molecular FormulaC11H19N5O3
Molecular Weight269.31 g/mol
Exact Mass269.15
IUPAC Name[4-(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-6-methylmorpholin-2-yl]methanol
SMILESCCOc1nc(N)nc(N2CC(C)OC(CO)C2)n1
InChIInChI=1S/C11H19N5O3/c1-3-18-11-14-9(12)13-10(15-11)16-4-7(2)19-8(5-16)6-17/h7-8,17H,3-6H2,1-2H3,(H2,12,13,14,15)
InChIKeyJCMVQHIKUYHKBB-UHFFFAOYSA-N
XLogP-0.56
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-6-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-6-methylmorpholin-2-yl]methanol (CID 102939089) is [4-(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-6-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-6-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-6-methylmorpholin-2-yl]methanol is CCOc1nc(N)nc(N2CC(C)OC(CO)C2)n1.
What is the InChIKey of [4-(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-6-methylmorpholin-2-yl]methanol?
The InChIKey is JCMVQHIKUYHKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3/c1-3-18-11-14-9(12)13-10(15-11)16-4-7(2)19-8(5-16)6-17/h7-8,17H,3-6H2,1-2H3,(H2,12,13,14,15).
What are the key properties of [4-(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-6-methylmorpholin-2-yl]methanol?
[4-(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-6-methylmorpholin-2-yl]methanol has a molecular weight of 269.31 g/mol, XLogP of -0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-6-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 102939089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).