2-methyl-N-(6-oxo-1H-pyrimidin-2-yl)propanamide

C8H11N3O2 — CID 162360736

IUPAC2-methyl-N-(6-oxo-1H-pyrimidin-2-yl)propanamide
SMILESCC(C)C(=O)Nc1nccc(=O)[nH]1
InChIInChI=1S/C8H11N3O2/c1-5(2)7(13)11-8-9-4-3-6(12)10-8/h3-5H,1-2H3,(H2,9,10,11,12,13)
InChIKeyGTYFPJBZKKBZME-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.36
Rot. Bonds2

About 2-methyl-N-(6-oxo-1H-pyrimidin-2-yl)propanamide

2-methyl-N-(6-oxo-1H-pyrimidin-2-yl)propanamide (PubChem CID 162360736) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-methyl-N-(6-oxo-1H-pyrimidin-2-yl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(6-oxo-1H-pyrimidin-2-yl)propanamide
PubChem CID162360736
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name2-methyl-N-(6-oxo-1H-pyrimidin-2-yl)propanamide
SMILESCC(C)C(=O)Nc1nccc(=O)[nH]1
InChIInChI=1S/C8H11N3O2/c1-5(2)7(13)11-8-9-4-3-6(12)10-8/h3-5H,1-2H3,(H2,9,10,11,12,13)
InChIKeyGTYFPJBZKKBZME-UHFFFAOYSA-N
XLogP0.36
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Dimethylamino)pyrimidin-4-ol
CID 817200
N-(6-Oxo-1,6-dihydropyrimidin-2-yl)urea
CID 22227528
Ctk1F7610
CID 12022219
2-(butylamino)-1H-pyrimidin-6-one
CID 2069400
2-Acetylaminopyrimidin-4-one
CID 45083030
CID 139071780
CID 139071780
2-Butylamino-3-methylpyrimidin-4-one
CID 21602095
Bis(oxypyrimidinyl)amine
CID 129805863
Bis(5-methyl-4-oxo-3,4-dihydropyrimidinyl-2)amine
CID 616185
2-(Ethylamino)-4(3H)-pyrimidinone
CID 1404215
2-(propylamino)-1H-pyrimidin-6-one
CID 2069399
2-(pentylamino)-1H-pyrimidin-6-one
CID 2069401

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(6-oxo-1H-pyrimidin-2-yl)propanamide?
The IUPAC name of 2-methyl-N-(6-oxo-1H-pyrimidin-2-yl)propanamide (CID 162360736) is 2-methyl-N-(6-oxo-1H-pyrimidin-2-yl)propanamide.
What is the SMILES notation for 2-methyl-N-(6-oxo-1H-pyrimidin-2-yl)propanamide?
The canonical SMILES for 2-methyl-N-(6-oxo-1H-pyrimidin-2-yl)propanamide is CC(C)C(=O)Nc1nccc(=O)[nH]1.
What is the InChIKey of 2-methyl-N-(6-oxo-1H-pyrimidin-2-yl)propanamide?
The InChIKey is GTYFPJBZKKBZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-5(2)7(13)11-8-9-4-3-6(12)10-8/h3-5H,1-2H3,(H2,9,10,11,12,13).
What are the key properties of 2-methyl-N-(6-oxo-1H-pyrimidin-2-yl)propanamide?
2-methyl-N-(6-oxo-1H-pyrimidin-2-yl)propanamide has a molecular weight of 181.19 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(6-oxo-1H-pyrimidin-2-yl)propanamide is sourced from PubChem (CID 162360736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).