2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-methoxyethyl)acetamide

C11H17N3O3 — CID 135896895

IUPAC2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cc1c(C)nc(C)[nH]c1=O
InChIInChI=1S/C11H17N3O3/c1-7-9(11(16)14-8(2)13-7)6-10(15)12-4-5-17-3/h4-6H2,1-3H3,(H,12,15)(H,13,14,16)
InChIKeyKWNLFPVWLVWWBA-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.31
Rot. Bonds5

About 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-methoxyethyl)acetamide

2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-methoxyethyl)acetamide (PubChem CID 135896895) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-methoxyethyl)acetamide
PubChem CID135896895
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cc1c(C)nc(C)[nH]c1=O
InChIInChI=1S/C11H17N3O3/c1-7-9(11(16)14-8(2)13-7)6-10(15)12-4-5-17-3/h4-6H2,1-3H3,(H,12,15)(H,13,14,16)
InChIKeyKWNLFPVWLVWWBA-UHFFFAOYSA-N
XLogP-0.31
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,6-dimethyl-5-{2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl}pyrimidin-4(3H)-one
CID 136147249
5-(1,1-difluoro-2-morpholin-4-yl-2-oxoethyl)-4-methyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 137295740
2-(dimethylamino)-N-(2-methoxyethyl)-4-oxo-3,4,5,6,8,9-hexahydro-7H-pyrimido[4,5-d]azepine-7-carboxamide
CID 136665900
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-methylpropyl)acetamide
CID 135896886
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 135931992
2-ethyl-5-[2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxoethyl]-4-methyl-1H-pyrimidin-6-one
CID 136849634
2,4-dimethyl-5-[1-[2-(2,2,2-trifluoroethoxy)ethylamino]ethyl]-1H-pyrimidin-6-one
CID 136148420
5-[1-[2-(2,2-difluoroethoxy)ethylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136852734
2,4-dimethyl-5-[2-oxo-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidin-6-one
CID 136858381
2,4-dimethyl-5-[2-oxo-2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidin-6-one
CID 136858382
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-methylbutyl)acetamide
CID 135896967
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 135896979

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-methoxyethyl)acetamide (CID 135896895) is 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-methoxyethyl)acetamide is COCCNC(=O)Cc1c(C)nc(C)[nH]c1=O.
What is the InChIKey of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-methoxyethyl)acetamide?
The InChIKey is KWNLFPVWLVWWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-7-9(11(16)14-8(2)13-7)6-10(15)12-4-5-17-3/h4-6H2,1-3H3,(H,12,15)(H,13,14,16).
What are the key properties of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-methoxyethyl)acetamide?
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-methoxyethyl)acetamide has a molecular weight of 239.27 g/mol, XLogP of -0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 135896895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).