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

C11H18ClN5O2 — CID 114782719

IUPAC[4-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-6,6-dimethylmorpholin-2-yl]methanol
SMILESCNc1nc(Cl)nc(N2CC(CO)OC(C)(C)C2)n1
InChIInChI=1S/C11H18ClN5O2/c1-11(2)6-17(4-7(5-18)19-11)10-15-8(12)14-9(13-3)16-10/h7,18H,4-6H2,1-3H3,(H,13,14,15,16)
InChIKeyXVVSVKOIWPBTQM-UHFFFAOYSA-N
MW287.75 g/mol
LogP0.54
Rot. Bonds3

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

[4-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-6,6-dimethylmorpholin-2-yl]methanol (PubChem CID 114782719) has the molecular formula C11H18ClN5O2 and a molecular weight of 287.75 g/mol. Its IUPAC name is [4-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-6,6-dimethylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-6,6-dimethylmorpholin-2-yl]methanol
PubChem CID114782719
Molecular FormulaC11H18ClN5O2
Molecular Weight287.75 g/mol
Exact Mass287.11
IUPAC Name[4-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-6,6-dimethylmorpholin-2-yl]methanol
SMILESCNc1nc(Cl)nc(N2CC(CO)OC(C)(C)C2)n1
InChIInChI=1S/C11H18ClN5O2/c1-11(2)6-17(4-7(5-18)19-11)10-15-8(12)14-9(13-3)16-10/h7,18H,4-6H2,1-3H3,(H,13,14,15,16)
InChIKeyXVVSVKOIWPBTQM-UHFFFAOYSA-N
XLogP0.54
TPSA83.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114777921
4-chloro-N-methyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3,5-triazin-2-amine
CID 102746663
[4-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114782717
[4-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114782658
[6,6-dimethyl-4-[5-(methylaminomethyl)pyrimidin-2-yl]morpholin-2-yl]methanol
CID 114777537
[4-[2-chloro-4-(methylaminomethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114777539
1-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-4-methylpiperidin-4-ol
CID 81107824
4-chloro-6-[4-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]-N-methyl-1,3,5-triazin-2-amine
CID 20647596
4-chloro-N-methyl-6-(3,3,4-trimethylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 80833964
[4-(3-amino-6-chloro-2-pyridinyl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114776247
[4-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114782647
[4-(4-amino-6-chloro-2-pyridinyl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114070637

Frequently Asked Questions

What is the IUPAC name of [4-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-6,6-dimethylmorpholin-2-yl]methanol?
The IUPAC name of [4-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-6,6-dimethylmorpholin-2-yl]methanol (CID 114782719) is [4-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-6,6-dimethylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-6,6-dimethylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-6,6-dimethylmorpholin-2-yl]methanol is CNc1nc(Cl)nc(N2CC(CO)OC(C)(C)C2)n1.
What is the InChIKey of [4-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-6,6-dimethylmorpholin-2-yl]methanol?
The InChIKey is XVVSVKOIWPBTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN5O2/c1-11(2)6-17(4-7(5-18)19-11)10-15-8(12)14-9(13-3)16-10/h7,18H,4-6H2,1-3H3,(H,13,14,15,16).
What are the key properties of [4-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-6,6-dimethylmorpholin-2-yl]methanol?
[4-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-6,6-dimethylmorpholin-2-yl]methanol has a molecular weight of 287.75 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-6,6-dimethylmorpholin-2-yl]methanol is sourced from PubChem (CID 114782719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).