N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-oxopyrimidin-1-yl)acetamide

C12H17N3O3 — CID 113258478

IUPACN-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-oxopyrimidin-1-yl)acetamide
SMILESC=C(C)COCCNC(=O)Cn1cccnc1=O
InChIInChI=1S/C12H17N3O3/c1-10(2)9-18-7-5-13-11(16)8-15-6-3-4-14-12(15)17/h3-4,6H,1,5,7-9H2,2H3,(H,13,16)
InChIKeyPTUCBDAKRWGTSW-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.05
Rot. Bonds7

About N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-oxopyrimidin-1-yl)acetamide

N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-oxopyrimidin-1-yl)acetamide (PubChem CID 113258478) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-oxopyrimidin-1-yl)acetamide
PubChem CID113258478
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC NameN-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-oxopyrimidin-1-yl)acetamide
SMILESC=C(C)COCCNC(=O)Cn1cccnc1=O
InChIInChI=1S/C12H17N3O3/c1-10(2)9-18-7-5-13-11(16)8-15-6-3-4-14-12(15)17/h3-4,6H,1,5,7-9H2,2H3,(H,13,16)
InChIKeyPTUCBDAKRWGTSW-UHFFFAOYSA-N
XLogP-0.05
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethoxyethyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 122132565
Fermium;prop-2-enyl 2-[2-(oxomethylamino)ethyl-[3-(2-oxopyrimidin-1-yl)propanoyl]amino]acetate
CID 166460079
Ethane;fermium;prop-2-enyl 2-[2-(oxomethylamino)ethyl-[3-(2-oxopyrimidin-1-yl)propanoyl]amino]acetate
CID 166460115
N-(2-methoxyethyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 39877725
Ethyl 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate
CID 60811643
1-[2-(2-Ethoxyethylamino)ethyl]pyrimidin-2-one
CID 62563806
1-[2-(2-Butoxyethylamino)ethyl]pyrimidin-2-one
CID 62564326
N-(1-methoxypropan-2-yl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 115580748

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-oxopyrimidin-1-yl)acetamide (CID 113258478) is N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-oxopyrimidin-1-yl)acetamide is C=C(C)COCCNC(=O)Cn1cccnc1=O.
What is the InChIKey of N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-oxopyrimidin-1-yl)acetamide?
The InChIKey is PTUCBDAKRWGTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-10(2)9-18-7-5-13-11(16)8-15-6-3-4-14-12(15)17/h3-4,6H,1,5,7-9H2,2H3,(H,13,16).
What are the key properties of N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-oxopyrimidin-1-yl)acetamide?
N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-oxopyrimidin-1-yl)acetamide has a molecular weight of 251.29 g/mol, XLogP of -0.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 113258478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).