N-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]acetamide

C8H11N3O2 — CID 76852062

IUPACN-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]acetamide
SMILESCC(=O)NCc1cnc(C)[nH]c1=O
InChIInChI=1S/C8H11N3O2/c1-5-9-3-7(8(13)11-5)4-10-6(2)12/h3H,4H2,1-2H3,(H,10,12)(H,9,11,13)
InChIKeyIXMIAWCKRVGSIE-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.29
Rot. Bonds2

About N-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]acetamide

N-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]acetamide (PubChem CID 76852062) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is N-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]acetamide
PubChem CID76852062
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC NameN-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]acetamide
SMILESCC(=O)NCc1cnc(C)[nH]c1=O
InChIInChI=1S/C8H11N3O2/c1-5-9-3-7(8(13)11-5)4-10-6(2)12/h3H,4H2,1-2H3,(H,10,12)(H,9,11,13)
InChIKeyIXMIAWCKRVGSIE-UHFFFAOYSA-N
XLogP-0.29
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 ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]acetamide?
The IUPAC name of N-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]acetamide (CID 76852062) is N-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]acetamide.
What is the SMILES notation for N-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]acetamide?
The canonical SMILES for N-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]acetamide is CC(=O)NCc1cnc(C)[nH]c1=O.
What is the InChIKey of N-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]acetamide?
The InChIKey is IXMIAWCKRVGSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-5-9-3-7(8(13)11-5)4-10-6(2)12/h3H,4H2,1-2H3,(H,10,12)(H,9,11,13).
What are the key properties of N-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]acetamide?
N-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]acetamide has a molecular weight of 181.19 g/mol, XLogP of -0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]acetamide is sourced from PubChem (CID 76852062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).