2,6-dimethyl-4-[(2-pyridin-4-ylpyrimidin-4-yl)methyl]morpholine

C16H20N4O — CID 110226214

IUPAC2,6-dimethyl-4-[(2-pyridin-4-ylpyrimidin-4-yl)methyl]morpholine
SMILESCC1CN(Cc2ccnc(-c3ccncc3)n2)CC(C)O1
InChIInChI=1S/C16H20N4O/c1-12-9-20(10-13(2)21-12)11-15-5-8-18-16(19-15)14-3-6-17-7-4-14/h3-8,12-13H,9-11H2,1-2H3
InChIKeyGESQJDNJSKCVEJ-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.15
Rot. Bonds3

About 2,6-dimethyl-4-[(2-pyridin-4-ylpyrimidin-4-yl)methyl]morpholine

2,6-dimethyl-4-[(2-pyridin-4-ylpyrimidin-4-yl)methyl]morpholine (PubChem CID 110226214) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2,6-dimethyl-4-[(2-pyridin-4-ylpyrimidin-4-yl)methyl]morpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-[(2-pyridin-4-ylpyrimidin-4-yl)methyl]morpholine
PubChem CID110226214
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2,6-dimethyl-4-[(2-pyridin-4-ylpyrimidin-4-yl)methyl]morpholine
SMILESCC1CN(Cc2ccnc(-c3ccncc3)n2)CC(C)O1
InChIInChI=1S/C16H20N4O/c1-12-9-20(10-13(2)21-12)11-15-5-8-18-16(19-15)14-3-6-17-7-4-14/h3-8,12-13H,9-11H2,1-2H3
InChIKeyGESQJDNJSKCVEJ-UHFFFAOYSA-N
XLogP2.15
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[(2-pyridin-4-ylpyrimidin-4-yl)methyl]morpholine?
The IUPAC name of 2,6-dimethyl-4-[(2-pyridin-4-ylpyrimidin-4-yl)methyl]morpholine (CID 110226214) is 2,6-dimethyl-4-[(2-pyridin-4-ylpyrimidin-4-yl)methyl]morpholine.
What is the SMILES notation for 2,6-dimethyl-4-[(2-pyridin-4-ylpyrimidin-4-yl)methyl]morpholine?
The canonical SMILES for 2,6-dimethyl-4-[(2-pyridin-4-ylpyrimidin-4-yl)methyl]morpholine is CC1CN(Cc2ccnc(-c3ccncc3)n2)CC(C)O1.
What is the InChIKey of 2,6-dimethyl-4-[(2-pyridin-4-ylpyrimidin-4-yl)methyl]morpholine?
The InChIKey is GESQJDNJSKCVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-12-9-20(10-13(2)21-12)11-15-5-8-18-16(19-15)14-3-6-17-7-4-14/h3-8,12-13H,9-11H2,1-2H3.
What are the key properties of 2,6-dimethyl-4-[(2-pyridin-4-ylpyrimidin-4-yl)methyl]morpholine?
2,6-dimethyl-4-[(2-pyridin-4-ylpyrimidin-4-yl)methyl]morpholine has a molecular weight of 284.36 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[(2-pyridin-4-ylpyrimidin-4-yl)methyl]morpholine is sourced from PubChem (CID 110226214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).