N-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)imino]-2-(4-propan-2-ylphenoxy)acetamide

C15H16N4O5 — CID 3561394

IUPACN-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)imino]-2-(4-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccc(OCC(=O)/N=N/c2c(O)[nH]c(=O)[nH]c2=O)cc1
InChIInChI=1S/C15H16N4O5/c1-8(2)9-3-5-10(6-4-9)24-7-11(20)18-19-12-13(21)16-15(23)17-14(12)22/h3-6,8H,7H2,1-2H3,(H3,16,17,21,22,23)/b19-18+
InChIKeyJGYBMXXYITYNSR-VHEBQXMUSA-N
MW332.32 g/mol
LogP1.58
Rot. Bonds5

About N-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)imino]-2-(4-propan-2-ylphenoxy)acetamide

N-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)imino]-2-(4-propan-2-ylphenoxy)acetamide (PubChem CID 3561394) has the molecular formula C15H16N4O5 and a molecular weight of 332.32 g/mol. Its IUPAC name is N-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)imino]-2-(4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)imino]-2-(4-propan-2-ylphenoxy)acetamide
PubChem CID3561394
Molecular FormulaC15H16N4O5
Molecular Weight332.32 g/mol
Exact Mass332.11
IUPAC NameN-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)imino]-2-(4-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccc(OCC(=O)/N=N/c2c(O)[nH]c(=O)[nH]c2=O)cc1
InChIInChI=1S/C15H16N4O5/c1-8(2)9-3-5-10(6-4-9)24-7-11(20)18-19-12-13(21)16-15(23)17-14(12)22/h3-6,8H,7H2,1-2H3,(H3,16,17,21,22,23)/b19-18+
InChIKeyJGYBMXXYITYNSR-VHEBQXMUSA-N
XLogP1.58
TPSA136.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

2-(4-chloro-3,5-dimethylphenoxy)-N-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)imino]acetamide
CID 3097032
N-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)imino]-2-(2-methylphenoxy)acetamide
CID 2846909
2-(3-bromophenoxy)-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]acetamide
CID 135775220
2-(3-fluorophenoxy)-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]acetamide
CID 135557715
N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]-2-(4-methylphenoxy)acetamide
CID 3566388
2-(4-ethylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 686521
N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(2-methyl-4-propan-2-ylphenoxy)acetamide
CID 1240511
2-(4-fluorophenoxy)-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]acetamide
CID 135620348
2-(4-tert-butylphenoxy)-N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]acetamide
CID 135551915
2-(4-ethylphenoxy)-N-[(2-hydroxy-6,7-dimethyl-1H-indol-3-yl)imino]acetamide
CID 135883396
N-[(7-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 1381525
N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-(4-propan-2-ylphenoxy)acetamide
CID 4552497

Frequently Asked Questions

What is the IUPAC name of N-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)imino]-2-(4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)imino]-2-(4-propan-2-ylphenoxy)acetamide (CID 3561394) is N-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)imino]-2-(4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)imino]-2-(4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)imino]-2-(4-propan-2-ylphenoxy)acetamide is CC(C)c1ccc(OCC(=O)/N=N/c2c(O)[nH]c(=O)[nH]c2=O)cc1.
What is the InChIKey of N-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)imino]-2-(4-propan-2-ylphenoxy)acetamide?
The InChIKey is JGYBMXXYITYNSR-VHEBQXMUSA-N. The full InChI is InChI=1S/C15H16N4O5/c1-8(2)9-3-5-10(6-4-9)24-7-11(20)18-19-12-13(21)16-15(23)17-14(12)22/h3-6,8H,7H2,1-2H3,(H3,16,17,21,22,23)/b19-18+.
What are the key properties of N-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)imino]-2-(4-propan-2-ylphenoxy)acetamide?
N-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)imino]-2-(4-propan-2-ylphenoxy)acetamide has a molecular weight of 332.32 g/mol, XLogP of 1.58, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)imino]-2-(4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 3561394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).