N-[4-(hydroxymethyl)phenyl]-2-(2-oxopyrimidin-1-yl)acetamide

C13H13N3O3 — CID 64794096

IUPACN-[4-(hydroxymethyl)phenyl]-2-(2-oxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1cccnc1=O)Nc1ccc(CO)cc1
InChIInChI=1S/C13H13N3O3/c17-9-10-2-4-11(5-3-10)15-12(18)8-16-7-1-6-14-13(16)19/h1-7,17H,8-9H2,(H,15,18)
InChIKeyCFHOJUYWJLLRRM-UHFFFAOYSA-N
MW259.26 g/mol
LogP0.37
Rot. Bonds4

About N-[4-(hydroxymethyl)phenyl]-2-(2-oxopyrimidin-1-yl)acetamide

N-[4-(hydroxymethyl)phenyl]-2-(2-oxopyrimidin-1-yl)acetamide (PubChem CID 64794096) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)phenyl]-2-(2-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)phenyl]-2-(2-oxopyrimidin-1-yl)acetamide
PubChem CID64794096
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC NameN-[4-(hydroxymethyl)phenyl]-2-(2-oxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1cccnc1=O)Nc1ccc(CO)cc1
InChIInChI=1S/C13H13N3O3/c17-9-10-2-4-11(5-3-10)15-12(18)8-16-7-1-6-14-13(16)19/h1-7,17H,8-9H2,(H,15,18)
InChIKeyCFHOJUYWJLLRRM-UHFFFAOYSA-N
XLogP0.37
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-oxopyrimidin-1-yl)-N-pyridin-4-ylacetamide
CID 39954106
2-hydroxy-4-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]benzoic acid
CID 43358285
2-[2-(hydroxymethyl)imidazol-1-yl]-N-phenylacetamide
CID 62221393
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 80717220
N-(1-hydroxypropan-2-yl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 43428142
2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid
CID 43355310
N-(3-methylphenyl)-3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanamide
CID 131927376
3-fluoro-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]benzoic acid
CID 81495087
3-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]benzoic acid
CID 43358338
N-(4-ethylphenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 18165534
4-methyl-3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]benzoic acid
CID 43355938
N-carbazol-9-yl-2-(2-oxopyrimidin-1-yl)acetamide
CID 167926211

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)phenyl]-2-(2-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-[4-(hydroxymethyl)phenyl]-2-(2-oxopyrimidin-1-yl)acetamide (CID 64794096) is N-[4-(hydroxymethyl)phenyl]-2-(2-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[4-(hydroxymethyl)phenyl]-2-(2-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-[4-(hydroxymethyl)phenyl]-2-(2-oxopyrimidin-1-yl)acetamide is O=C(Cn1cccnc1=O)Nc1ccc(CO)cc1.
What is the InChIKey of N-[4-(hydroxymethyl)phenyl]-2-(2-oxopyrimidin-1-yl)acetamide?
The InChIKey is CFHOJUYWJLLRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c17-9-10-2-4-11(5-3-10)15-12(18)8-16-7-1-6-14-13(16)19/h1-7,17H,8-9H2,(H,15,18).
What are the key properties of N-[4-(hydroxymethyl)phenyl]-2-(2-oxopyrimidin-1-yl)acetamide?
N-[4-(hydroxymethyl)phenyl]-2-(2-oxopyrimidin-1-yl)acetamide has a molecular weight of 259.26 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)phenyl]-2-(2-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 64794096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).