2-acetamido-2-methyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]propanamide

C13H20N4O3 — CID 137025351

IUPAC2-acetamido-2-methyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]propanamide
SMILESCC(=O)NC(C)(C)C(=O)NCCc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C13H20N4O3/c1-8-7-11(19)16-10(15-8)5-6-14-12(20)13(3,4)17-9(2)18/h7H,5-6H2,1-4H3,(H,14,20)(H,17,18)(H,15,16,19)
InChIKeyGEKICYNFIAKXFT-UHFFFAOYSA-N
MW280.33 g/mol
LogP-0.35
Rot. Bonds5

About 2-acetamido-2-methyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]propanamide

2-acetamido-2-methyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]propanamide (PubChem CID 137025351) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-acetamido-2-methyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-acetamido-2-methyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]propanamide
PubChem CID137025351
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name2-acetamido-2-methyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]propanamide
SMILESCC(=O)NC(C)(C)C(=O)NCCc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C13H20N4O3/c1-8-7-11(19)16-10(15-8)5-6-14-12(20)13(3,4)17-9(2)18/h7H,5-6H2,1-4H3,(H,14,20)(H,17,18)(H,15,16,19)
InChIKeyGEKICYNFIAKXFT-UHFFFAOYSA-N
XLogP-0.35
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[(2R)-1-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethylamino]-1-oxopropan-2-yl]carbamate
CID 136867852
4-methyl-2-(6-oxoheptyl)-1H-pyrimidin-6-one
CID 137098515
2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide
CID 136664878
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2,6-dimethylpyridine-4-carboxamide
CID 137092384
N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]spiro[2.5]octane-2-carboxamide
CID 136993210
N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-thiophen-2-ylacetamide
CID 137108586
N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-piperidin-1-ylcyclohexane-1-carboxamide
CID 135990316
3-(dimethylamino)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide
CID 136664785
(3S)-3-hydroxy-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]piperidine-1-carboxamide
CID 137065733
methyl (2S)-2-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethylcarbamoyl]piperidine-1-carboxylate
CID 137148249
3-(3-fluorophenyl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide
CID 135990303
2-(2H-indazol-3-yl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide
CID 137021878

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-2-methyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]propanamide?
The IUPAC name of 2-acetamido-2-methyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]propanamide (CID 137025351) is 2-acetamido-2-methyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]propanamide.
What is the SMILES notation for 2-acetamido-2-methyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]propanamide?
The canonical SMILES for 2-acetamido-2-methyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]propanamide is CC(=O)NC(C)(C)C(=O)NCCc1nc(C)cc(=O)[nH]1.
What is the InChIKey of 2-acetamido-2-methyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]propanamide?
The InChIKey is GEKICYNFIAKXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-8-7-11(19)16-10(15-8)5-6-14-12(20)13(3,4)17-9(2)18/h7H,5-6H2,1-4H3,(H,14,20)(H,17,18)(H,15,16,19).
What are the key properties of 2-acetamido-2-methyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]propanamide?
2-acetamido-2-methyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]propanamide has a molecular weight of 280.33 g/mol, XLogP of -0.35, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-2-methyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]propanamide is sourced from PubChem (CID 137025351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).