2-[2-[6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]morpholin-4-yl]-N,N-dimethylacetamide

C16H27N5O3 — CID 110271844

IUPAC2-[2-[6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]morpholin-4-yl]-N,N-dimethylacetamide
SMILESCOCCNc1cc(C2CN(CC(=O)N(C)C)CCO2)nc(C)n1
InChIInChI=1S/C16H27N5O3/c1-12-18-13(9-15(19-12)17-5-7-23-4)14-10-21(6-8-24-14)11-16(22)20(2)3/h9,14H,5-8,10-11H2,1-4H3,(H,17,18,19)
InChIKeyCZQGBZMDPHOQLP-UHFFFAOYSA-N
MW337.42 g/mol
LogP0.30
Rot. Bonds7

About 2-[2-[6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]morpholin-4-yl]-N,N-dimethylacetamide

2-[2-[6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]morpholin-4-yl]-N,N-dimethylacetamide (PubChem CID 110271844) has the molecular formula C16H27N5O3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-[2-[6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]morpholin-4-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-[6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]morpholin-4-yl]-N,N-dimethylacetamide
PubChem CID110271844
Molecular FormulaC16H27N5O3
Molecular Weight337.42 g/mol
Exact Mass337.21
IUPAC Name2-[2-[6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]morpholin-4-yl]-N,N-dimethylacetamide
SMILESCOCCNc1cc(C2CN(CC(=O)N(C)C)CCO2)nc(C)n1
InChIInChI=1S/C16H27N5O3/c1-12-18-13(9-15(19-12)17-5-7-23-4)14-10-21(6-8-24-14)11-16(22)20(2)3/h9,14H,5-8,10-11H2,1-4H3,(H,17,18,19)
InChIKeyCZQGBZMDPHOQLP-UHFFFAOYSA-N
XLogP0.30
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]morpholin-4-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-[6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]morpholin-4-yl]-N,N-dimethylacetamide (CID 110271844) is 2-[2-[6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]morpholin-4-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-[6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]morpholin-4-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-[6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]morpholin-4-yl]-N,N-dimethylacetamide is COCCNc1cc(C2CN(CC(=O)N(C)C)CCO2)nc(C)n1.
What is the InChIKey of 2-[2-[6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]morpholin-4-yl]-N,N-dimethylacetamide?
The InChIKey is CZQGBZMDPHOQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O3/c1-12-18-13(9-15(19-12)17-5-7-23-4)14-10-21(6-8-24-14)11-16(22)20(2)3/h9,14H,5-8,10-11H2,1-4H3,(H,17,18,19).
What are the key properties of 2-[2-[6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]morpholin-4-yl]-N,N-dimethylacetamide?
2-[2-[6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]morpholin-4-yl]-N,N-dimethylacetamide has a molecular weight of 337.42 g/mol, XLogP of 0.30, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]morpholin-4-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 110271844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).