[6,6-dimethyl-4-[5-(methylaminomethyl)pyrimidin-2-yl]morpholin-2-yl]methanol

C13H22N4O2 — CID 114777537

IUPAC[6,6-dimethyl-4-[5-(methylaminomethyl)pyrimidin-2-yl]morpholin-2-yl]methanol
SMILESCNCc1cnc(N2CC(CO)OC(C)(C)C2)nc1
InChIInChI=1S/C13H22N4O2/c1-13(2)9-17(7-11(8-18)19-13)12-15-5-10(4-14-3)6-16-12/h5-6,11,14,18H,4,7-9H2,1-3H3
InChIKeyZRHXUTKHFYABMG-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.17
Rot. Bonds4

About [6,6-dimethyl-4-[5-(methylaminomethyl)pyrimidin-2-yl]morpholin-2-yl]methanol

[6,6-dimethyl-4-[5-(methylaminomethyl)pyrimidin-2-yl]morpholin-2-yl]methanol (PubChem CID 114777537) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is [6,6-dimethyl-4-[5-(methylaminomethyl)pyrimidin-2-yl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[6,6-dimethyl-4-[5-(methylaminomethyl)pyrimidin-2-yl]morpholin-2-yl]methanol
PubChem CID114777537
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name[6,6-dimethyl-4-[5-(methylaminomethyl)pyrimidin-2-yl]morpholin-2-yl]methanol
SMILESCNCc1cnc(N2CC(CO)OC(C)(C)C2)nc1
InChIInChI=1S/C13H22N4O2/c1-13(2)9-17(7-11(8-18)19-13)12-15-5-10(4-14-3)6-16-12/h5-6,11,14,18H,4,7-9H2,1-3H3
InChIKeyZRHXUTKHFYABMG-UHFFFAOYSA-N
XLogP0.17
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6,6-dimethyl-4-[5-(methylaminomethyl)pyrimidin-2-yl]morpholin-2-yl]methanol?
The IUPAC name of [6,6-dimethyl-4-[5-(methylaminomethyl)pyrimidin-2-yl]morpholin-2-yl]methanol (CID 114777537) is [6,6-dimethyl-4-[5-(methylaminomethyl)pyrimidin-2-yl]morpholin-2-yl]methanol.
What is the SMILES notation for [6,6-dimethyl-4-[5-(methylaminomethyl)pyrimidin-2-yl]morpholin-2-yl]methanol?
The canonical SMILES for [6,6-dimethyl-4-[5-(methylaminomethyl)pyrimidin-2-yl]morpholin-2-yl]methanol is CNCc1cnc(N2CC(CO)OC(C)(C)C2)nc1.
What is the InChIKey of [6,6-dimethyl-4-[5-(methylaminomethyl)pyrimidin-2-yl]morpholin-2-yl]methanol?
The InChIKey is ZRHXUTKHFYABMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-13(2)9-17(7-11(8-18)19-13)12-15-5-10(4-14-3)6-16-12/h5-6,11,14,18H,4,7-9H2,1-3H3.
What are the key properties of [6,6-dimethyl-4-[5-(methylaminomethyl)pyrimidin-2-yl]morpholin-2-yl]methanol?
[6,6-dimethyl-4-[5-(methylaminomethyl)pyrimidin-2-yl]morpholin-2-yl]methanol has a molecular weight of 266.34 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6,6-dimethyl-4-[5-(methylaminomethyl)pyrimidin-2-yl]morpholin-2-yl]methanol is sourced from PubChem (CID 114777537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).