2-(2-methoxyethoxy)-N-methyl-N-(1-pyrimidin-4-ylethyl)acetamide

C12H19N3O3 — CID 91771302

IUPAC2-(2-methoxyethoxy)-N-methyl-N-(1-pyrimidin-4-ylethyl)acetamide
SMILESCOCCOCC(=O)N(C)C(C)c1ccncn1
InChIInChI=1S/C12H19N3O3/c1-10(11-4-5-13-9-14-11)15(2)12(16)8-18-7-6-17-3/h4-5,9-10H,6-8H2,1-3H3
InChIKeyKGUPWWSZQGZXRA-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.66
Rot. Bonds7

About 2-(2-methoxyethoxy)-N-methyl-N-(1-pyrimidin-4-ylethyl)acetamide

2-(2-methoxyethoxy)-N-methyl-N-(1-pyrimidin-4-ylethyl)acetamide (PubChem CID 91771302) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-N-methyl-N-(1-pyrimidin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-N-methyl-N-(1-pyrimidin-4-ylethyl)acetamide
PubChem CID91771302
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-(2-methoxyethoxy)-N-methyl-N-(1-pyrimidin-4-ylethyl)acetamide
SMILESCOCCOCC(=O)N(C)C(C)c1ccncn1
InChIInChI=1S/C12H19N3O3/c1-10(11-4-5-13-9-14-11)15(2)12(16)8-18-7-6-17-3/h4-5,9-10H,6-8H2,1-3H3
InChIKeyKGUPWWSZQGZXRA-UHFFFAOYSA-N
XLogP0.66
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(3R)-4,4-difluorooxolan-3-yl]-1-methyl-1-[(1S)-1-pyrimidin-4-ylethyl]urea
CID 176231200
1-[3-[2-(Dimethylamino)pyrimidin-4-yl]azetidin-1-yl]-2-hydroxyethanone
CID 73439360
2-Methoxy-1-[2-(4-methylpyrimidin-2-yl)piperidin-1-yl]ethanone
CID 73440276
2-Methoxy-1-(2-pyrimidin-4-ylpiperidin-1-yl)ethanone
CID 110254253
1-[6-[[6-(Dimethylamino)pyrimidin-4-yl]methyl]-4-methyl-1,4-diazepan-1-yl]-2-methoxyethanone
CID 110267545
1-(2-Ethylpiperidin-1-yl)-2-((4-methylpyrimidin-2-yl)oxy)ethanone
CID 52992824
2-[methyl-[(1S)-1-pyrimidin-4-ylethyl]amino]-1-morpholin-4-ylethanone
CID 124752356
N,N-diethyl-2-[methyl-[(1S)-1-pyrimidin-4-ylethyl]amino]acetamide
CID 124754240
3-[(3R)-4,4-difluorooxolan-3-yl]-1-methyl-1-[(1R)-1-pyrimidin-4-ylethyl]urea
CID 176231193
3-[(3S)-4,4-difluorooxolan-3-yl]-1-methyl-1-[(1R)-1-pyrimidin-4-ylethyl]urea
CID 176231310
3-[(3S)-4,4-difluorooxolan-3-yl]-1-methyl-1-[(1S)-1-pyrimidin-4-ylethyl]urea
CID 176231317
4,4,4-trifluoro-N-methyl-N-[1-(4-pyrimidinyl)ethyl]butanamide
CID 145933635

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-N-methyl-N-(1-pyrimidin-4-ylethyl)acetamide?
The IUPAC name of 2-(2-methoxyethoxy)-N-methyl-N-(1-pyrimidin-4-ylethyl)acetamide (CID 91771302) is 2-(2-methoxyethoxy)-N-methyl-N-(1-pyrimidin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(2-methoxyethoxy)-N-methyl-N-(1-pyrimidin-4-ylethyl)acetamide?
The canonical SMILES for 2-(2-methoxyethoxy)-N-methyl-N-(1-pyrimidin-4-ylethyl)acetamide is COCCOCC(=O)N(C)C(C)c1ccncn1.
What is the InChIKey of 2-(2-methoxyethoxy)-N-methyl-N-(1-pyrimidin-4-ylethyl)acetamide?
The InChIKey is KGUPWWSZQGZXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-10(11-4-5-13-9-14-11)15(2)12(16)8-18-7-6-17-3/h4-5,9-10H,6-8H2,1-3H3.
What are the key properties of 2-(2-methoxyethoxy)-N-methyl-N-(1-pyrimidin-4-ylethyl)acetamide?
2-(2-methoxyethoxy)-N-methyl-N-(1-pyrimidin-4-ylethyl)acetamide has a molecular weight of 253.30 g/mol, XLogP of 0.66, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-N-methyl-N-(1-pyrimidin-4-ylethyl)acetamide is sourced from PubChem (CID 91771302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).