N-[[5-(2,5-dimethylmorpholin-4-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine

C16H28N4O — CID 62279580

IUPACN-[[5-(2,5-dimethylmorpholin-4-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine
SMILESCCNCc1nc(C(C)C)ncc1N1CC(C)OCC1C
InChIInChI=1S/C16H28N4O/c1-6-17-7-14-15(8-18-16(19-14)11(2)3)20-9-13(5)21-10-12(20)4/h8,11-13,17H,6-7,9-10H2,1-5H3
InChIKeyAQNHOCGEHRZJAB-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.32
Rot. Bonds5

About N-[[5-(2,5-dimethylmorpholin-4-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine

N-[[5-(2,5-dimethylmorpholin-4-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine (PubChem CID 62279580) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is N-[[5-(2,5-dimethylmorpholin-4-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(2,5-dimethylmorpholin-4-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine
PubChem CID62279580
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC NameN-[[5-(2,5-dimethylmorpholin-4-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine
SMILESCCNCc1nc(C(C)C)ncc1N1CC(C)OCC1C
InChIInChI=1S/C16H28N4O/c1-6-17-7-14-15(8-18-16(19-14)11(2)3)20-9-13(5)21-10-12(20)4/h8,11-13,17H,6-7,9-10H2,1-5H3
InChIKeyAQNHOCGEHRZJAB-UHFFFAOYSA-N
XLogP2.32
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,5-dimethylmorpholin-4-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(2,5-dimethylmorpholin-4-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine (CID 62279580) is N-[[5-(2,5-dimethylmorpholin-4-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(2,5-dimethylmorpholin-4-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(2,5-dimethylmorpholin-4-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine is CCNCc1nc(C(C)C)ncc1N1CC(C)OCC1C.
What is the InChIKey of N-[[5-(2,5-dimethylmorpholin-4-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine?
The InChIKey is AQNHOCGEHRZJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-6-17-7-14-15(8-18-16(19-14)11(2)3)20-9-13(5)21-10-12(20)4/h8,11-13,17H,6-7,9-10H2,1-5H3.
What are the key properties of N-[[5-(2,5-dimethylmorpholin-4-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine?
N-[[5-(2,5-dimethylmorpholin-4-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine has a molecular weight of 292.43 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,5-dimethylmorpholin-4-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 62279580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).