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

C12H19ClN4O3 — CID 114777921

IUPAC[4-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-6,6-dimethylmorpholin-2-yl]methanol
SMILESCCOc1nc(Cl)nc(N2CC(CO)OC(C)(C)C2)n1
InChIInChI=1S/C12H19ClN4O3/c1-4-19-11-15-9(13)14-10(16-11)17-5-8(6-18)20-12(2,3)7-17/h8,18H,4-7H2,1-3H3
InChIKeyYWHROLYZAGJAOS-UHFFFAOYSA-N
MW302.76 g/mol
LogP0.90
Rot. Bonds4

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

[4-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-6,6-dimethylmorpholin-2-yl]methanol (PubChem CID 114777921) has the molecular formula C12H19ClN4O3 and a molecular weight of 302.76 g/mol. Its IUPAC name is [4-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-6,6-dimethylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-6,6-dimethylmorpholin-2-yl]methanol
PubChem CID114777921
Molecular FormulaC12H19ClN4O3
Molecular Weight302.76 g/mol
Exact Mass302.11
IUPAC Name[4-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-6,6-dimethylmorpholin-2-yl]methanol
SMILESCCOc1nc(Cl)nc(N2CC(CO)OC(C)(C)C2)n1
InChIInChI=1S/C12H19ClN4O3/c1-4-19-11-15-9(13)14-10(16-11)17-5-8(6-18)20-12(2,3)7-17/h8,18H,4-7H2,1-3H3
InChIKeyYWHROLYZAGJAOS-UHFFFAOYSA-N
XLogP0.90
TPSA80.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [4-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-6,6-dimethylmorpholin-2-yl]methanol with MolForge

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Related Compounds

[4-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114782719
[4-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114782717
[6,6-dimethyl-4-[5-(methylaminomethyl)pyrimidin-2-yl]morpholin-2-yl]methanol
CID 114777537
[4-(3-amino-6-chloro-2-pyridinyl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114776247
2-chloro-4-(4-cyclopropylpiperazin-1-yl)-6-ethoxy-1,3,5-triazine
CID 62857405
2-chloro-4-ethoxy-6-(3-ethylpiperidin-1-yl)-1,3,5-triazine
CID 62857566
(6S)-4-(5-chloropyrimidin-2-yl)-6-(methoxymethyl)-2,2-dimethylmorpholine
CID 129484815
1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106321034
[4-(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-6-methylmorpholin-2-yl]methanol
CID 102939089
[4-(4-amino-6-chloro-2-pyridinyl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114070637
methyl 4-chloro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1,3-thiazole-5-carboxylate
CID 114777939
2-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81108657

Frequently Asked Questions

What is the IUPAC name of [4-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-6,6-dimethylmorpholin-2-yl]methanol?
The IUPAC name of [4-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-6,6-dimethylmorpholin-2-yl]methanol (CID 114777921) is [4-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-6,6-dimethylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-6,6-dimethylmorpholin-2-yl]methanol?
The canonical SMILES for [4-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-6,6-dimethylmorpholin-2-yl]methanol is CCOc1nc(Cl)nc(N2CC(CO)OC(C)(C)C2)n1.
What is the InChIKey of [4-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-6,6-dimethylmorpholin-2-yl]methanol?
The InChIKey is YWHROLYZAGJAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O3/c1-4-19-11-15-9(13)14-10(16-11)17-5-8(6-18)20-12(2,3)7-17/h8,18H,4-7H2,1-3H3.
What are the key properties of [4-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-6,6-dimethylmorpholin-2-yl]methanol?
[4-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-6,6-dimethylmorpholin-2-yl]methanol has a molecular weight of 302.76 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-6,6-dimethylmorpholin-2-yl]methanol is sourced from PubChem (CID 114777921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).