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

C13H22ClN5O2 — CID 81197727

IUPAC[4-[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-5-methylmorpholin-2-yl]methanol
SMILESCCN(CC)c1nc(Cl)nc(N2CC(CO)OCC2C)n1
InChIInChI=1S/C13H22ClN5O2/c1-4-18(5-2)12-15-11(14)16-13(17-12)19-6-10(7-20)21-8-9(19)3/h9-10,20H,4-8H2,1-3H3
InChIKeyDFFVWNVWJLYJPU-UHFFFAOYSA-N
MW315.81 g/mol
LogP0.96
Rot. Bonds5

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

[4-[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-5-methylmorpholin-2-yl]methanol (PubChem CID 81197727) has the molecular formula C13H22ClN5O2 and a molecular weight of 315.81 g/mol. Its IUPAC name is [4-[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-5-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-5-methylmorpholin-2-yl]methanol
PubChem CID81197727
Molecular FormulaC13H22ClN5O2
Molecular Weight315.81 g/mol
Exact Mass315.15
IUPAC Name[4-[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-5-methylmorpholin-2-yl]methanol
SMILESCCN(CC)c1nc(Cl)nc(N2CC(CO)OCC2C)n1
InChIInChI=1S/C13H22ClN5O2/c1-4-18(5-2)12-15-11(14)16-13(17-12)19-6-10(7-20)21-8-9(19)3/h9-10,20H,4-8H2,1-3H3
InChIKeyDFFVWNVWJLYJPU-UHFFFAOYSA-N
XLogP0.96
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.81
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]-5-methylmorpholin-2-yl]methanol
CID 81217356
[1-[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]piperidin-2-yl]methanol
CID 62865295
4-chloro-N,N-diethyl-6-(2-methylmorpholin-4-yl)-1,3,5-triazin-2-amine
CID 55124481
[4-(6-amino-2-pyridinyl)-5-methylmorpholin-2-yl]methanol
CID 81218480
[4-(2-chloro-4-pyridinyl)-5-methylmorpholin-2-yl]methanol
CID 102824323
(5-methyl-4-quinazolin-2-ylmorpholin-2-yl)methanol
CID 114789622
[4-[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]-5-methylmorpholin-2-yl]methanol
CID 81216915
[4-(4-aminophenyl)-5-methylmorpholin-2-yl]methanol
CID 81206068
[4-(2-chloro-7H-purin-6-yl)-5-methylmorpholin-2-yl]methanol
CID 104697888
2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyrimidine-4-carboximidamide
CID 107550636
3-[1-[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]propan-1-ol
CID 62864713
[4-(2-amino-5-chlorophenyl)-5-methylmorpholin-2-yl]methanol
CID 113315842

Frequently Asked Questions

What is the IUPAC name of [4-[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-5-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-5-methylmorpholin-2-yl]methanol (CID 81197727) is [4-[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-5-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-5-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-5-methylmorpholin-2-yl]methanol is CCN(CC)c1nc(Cl)nc(N2CC(CO)OCC2C)n1.
What is the InChIKey of [4-[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-5-methylmorpholin-2-yl]methanol?
The InChIKey is DFFVWNVWJLYJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN5O2/c1-4-18(5-2)12-15-11(14)16-13(17-12)19-6-10(7-20)21-8-9(19)3/h9-10,20H,4-8H2,1-3H3.
What are the key properties of [4-[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-5-methylmorpholin-2-yl]methanol?
[4-[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-5-methylmorpholin-2-yl]methanol has a molecular weight of 315.81 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-5-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 81197727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).