N-[[2-(2,5-dimethylmorpholin-4-yl)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine

C16H28N4O — CID 83179272

IUPACN-[[2-(2,5-dimethylmorpholin-4-yl)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine
SMILESCc1nc(N2CC(C)OCC2C)ncc1CNCC(C)C
InChIInChI=1S/C16H28N4O/c1-11(2)6-17-7-15-8-18-16(19-14(15)5)20-9-13(4)21-10-12(20)3/h8,11-13,17H,6-7,9-10H2,1-5H3
InChIKeyRITVTZAZFXYTRS-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.14
Rot. Bonds5

About N-[[2-(2,5-dimethylmorpholin-4-yl)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine

N-[[2-(2,5-dimethylmorpholin-4-yl)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine (PubChem CID 83179272) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is N-[[2-(2,5-dimethylmorpholin-4-yl)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(2,5-dimethylmorpholin-4-yl)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine
PubChem CID83179272
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC NameN-[[2-(2,5-dimethylmorpholin-4-yl)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine
SMILESCc1nc(N2CC(C)OCC2C)ncc1CNCC(C)C
InChIInChI=1S/C16H28N4O/c1-11(2)6-17-7-15-8-18-16(19-14(15)5)20-9-13(4)21-10-12(20)3/h8,11-13,17H,6-7,9-10H2,1-5H3
InChIKeyRITVTZAZFXYTRS-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,5-dimethylmorpholin-4-yl)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(2,5-dimethylmorpholin-4-yl)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine (CID 83179272) is N-[[2-(2,5-dimethylmorpholin-4-yl)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(2,5-dimethylmorpholin-4-yl)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(2,5-dimethylmorpholin-4-yl)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine is Cc1nc(N2CC(C)OCC2C)ncc1CNCC(C)C.
What is the InChIKey of N-[[2-(2,5-dimethylmorpholin-4-yl)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is RITVTZAZFXYTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-11(2)6-17-7-15-8-18-16(19-14(15)5)20-9-13(4)21-10-12(20)3/h8,11-13,17H,6-7,9-10H2,1-5H3.
What are the key properties of N-[[2-(2,5-dimethylmorpholin-4-yl)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine?
N-[[2-(2,5-dimethylmorpholin-4-yl)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 292.43 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,5-dimethylmorpholin-4-yl)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 83179272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).