2-[(3,3-dimethylmorpholin-4-yl)methyl]-N-ethyl-6-methylpyrimidin-4-amine

C14H24N4O — CID 80657269

IUPAC2-[(3,3-dimethylmorpholin-4-yl)methyl]-N-ethyl-6-methylpyrimidin-4-amine
SMILESCCNc1cc(C)nc(CN2CCOCC2(C)C)n1
InChIInChI=1S/C14H24N4O/c1-5-15-12-8-11(2)16-13(17-12)9-18-6-7-19-10-14(18,3)4/h8H,5-7,9-10H2,1-4H3,(H,15,16,17)
InChIKeyWUBNOQXIIKTLLV-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.83
Rot. Bonds4

About 2-[(3,3-dimethylmorpholin-4-yl)methyl]-N-ethyl-6-methylpyrimidin-4-amine

2-[(3,3-dimethylmorpholin-4-yl)methyl]-N-ethyl-6-methylpyrimidin-4-amine (PubChem CID 80657269) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[(3,3-dimethylmorpholin-4-yl)methyl]-N-ethyl-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3,3-dimethylmorpholin-4-yl)methyl]-N-ethyl-6-methylpyrimidin-4-amine
PubChem CID80657269
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2-[(3,3-dimethylmorpholin-4-yl)methyl]-N-ethyl-6-methylpyrimidin-4-amine
SMILESCCNc1cc(C)nc(CN2CCOCC2(C)C)n1
InChIInChI=1S/C14H24N4O/c1-5-15-12-8-11(2)16-13(17-12)9-18-6-7-19-10-14(18,3)4/h8H,5-7,9-10H2,1-4H3,(H,15,16,17)
InChIKeyWUBNOQXIIKTLLV-UHFFFAOYSA-N
XLogP1.83
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-dimethylmorpholin-4-yl)methyl]-N-ethyl-6-methylpyrimidin-4-amine?
The IUPAC name of 2-[(3,3-dimethylmorpholin-4-yl)methyl]-N-ethyl-6-methylpyrimidin-4-amine (CID 80657269) is 2-[(3,3-dimethylmorpholin-4-yl)methyl]-N-ethyl-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[(3,3-dimethylmorpholin-4-yl)methyl]-N-ethyl-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-[(3,3-dimethylmorpholin-4-yl)methyl]-N-ethyl-6-methylpyrimidin-4-amine is CCNc1cc(C)nc(CN2CCOCC2(C)C)n1.
What is the InChIKey of 2-[(3,3-dimethylmorpholin-4-yl)methyl]-N-ethyl-6-methylpyrimidin-4-amine?
The InChIKey is WUBNOQXIIKTLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-5-15-12-8-11(2)16-13(17-12)9-18-6-7-19-10-14(18,3)4/h8H,5-7,9-10H2,1-4H3,(H,15,16,17).
What are the key properties of 2-[(3,3-dimethylmorpholin-4-yl)methyl]-N-ethyl-6-methylpyrimidin-4-amine?
2-[(3,3-dimethylmorpholin-4-yl)methyl]-N-ethyl-6-methylpyrimidin-4-amine has a molecular weight of 264.37 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-dimethylmorpholin-4-yl)methyl]-N-ethyl-6-methylpyrimidin-4-amine is sourced from PubChem (CID 80657269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).