2-[2-methoxy-4-(2-methoxyethylcarbamoyl)phenoxy]pyrimidine-5-carboxamide

C16H18N4O5 — CID 142992517

IUPAC2-[2-methoxy-4-(2-methoxyethylcarbamoyl)phenoxy]pyrimidine-5-carboxamide
SMILESCOCCNC(=O)c1ccc(Oc2ncc(C(N)=O)cn2)c(OC)c1
InChIInChI=1S/C16H18N4O5/c1-23-6-5-18-15(22)10-3-4-12(13(7-10)24-2)25-16-19-8-11(9-20-16)14(17)21/h3-4,7-9H,5-6H2,1-2H3,(H2,17,21)(H,18,22)
InChIKeyQATNCSCHADYNIG-UHFFFAOYSA-N
MW346.34 g/mol
LogP0.75
Rot. Bonds8

About 2-[2-methoxy-4-(2-methoxyethylcarbamoyl)phenoxy]pyrimidine-5-carboxamide

2-[2-methoxy-4-(2-methoxyethylcarbamoyl)phenoxy]pyrimidine-5-carboxamide (PubChem CID 142992517) has the molecular formula C16H18N4O5 and a molecular weight of 346.34 g/mol. Its IUPAC name is 2-[2-methoxy-4-(2-methoxyethylcarbamoyl)phenoxy]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[2-methoxy-4-(2-methoxyethylcarbamoyl)phenoxy]pyrimidine-5-carboxamide
PubChem CID142992517
Molecular FormulaC16H18N4O5
Molecular Weight346.34 g/mol
Exact Mass346.13
IUPAC Name2-[2-methoxy-4-(2-methoxyethylcarbamoyl)phenoxy]pyrimidine-5-carboxamide
SMILESCOCCNC(=O)c1ccc(Oc2ncc(C(N)=O)cn2)c(OC)c1
InChIInChI=1S/C16H18N4O5/c1-23-6-5-18-15(22)10-3-4-12(13(7-10)24-2)25-16-19-8-11(9-20-16)14(17)21/h3-4,7-9H,5-6H2,1-2H3,(H2,17,21)(H,18,22)
InChIKeyQATNCSCHADYNIG-UHFFFAOYSA-N
XLogP0.75
TPSA125.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminooxyethyl)-3,4-dimethoxybenzamide
CID 92931840
4-(5-aminopyrimidin-2-yl)oxy-3-methoxybenzamide
CID 61147721
3-amino-4-methoxy-N-(2-methoxyethyl)benzamide
CID 16772972
3,4-dimethoxy-N-octadecylbenzamide
CID 20530777
N-(4-aminopentyl)-3,4-dimethoxybenzamide
CID 106122930
3,4-dimethoxy-N-[1-[1-(2-methoxyethylamino)-2-methyl-1-oxopropan-2-yl]pyrazol-4-yl]benzamide
CID 71448798
N-[3-(3,4-dimethoxyphenyl)propyl]-3,4-dimethoxybenzamide
CID 14118389
N-(3-aminobutyl)-3,4-dimethoxybenzamide
CID 63253883
N-[2-(2-fluorophenoxy)ethyl]-3,4-dimethoxybenzamide
CID 610361
N-[2-(2,6-dimethylphenoxy)ethyl]-3,4-dimethoxybenzamide
CID 2173279
3-methoxy-4-(5-methylpyrimidin-2-yl)oxybenzoic acid
CID 55161660
N-[2-(ethylamino)ethyl]-3,4-dimethoxybenzamide
CID 55100526

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-(2-methoxyethylcarbamoyl)phenoxy]pyrimidine-5-carboxamide?
The IUPAC name of 2-[2-methoxy-4-(2-methoxyethylcarbamoyl)phenoxy]pyrimidine-5-carboxamide (CID 142992517) is 2-[2-methoxy-4-(2-methoxyethylcarbamoyl)phenoxy]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[2-methoxy-4-(2-methoxyethylcarbamoyl)phenoxy]pyrimidine-5-carboxamide?
The canonical SMILES for 2-[2-methoxy-4-(2-methoxyethylcarbamoyl)phenoxy]pyrimidine-5-carboxamide is COCCNC(=O)c1ccc(Oc2ncc(C(N)=O)cn2)c(OC)c1.
What is the InChIKey of 2-[2-methoxy-4-(2-methoxyethylcarbamoyl)phenoxy]pyrimidine-5-carboxamide?
The InChIKey is QATNCSCHADYNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O5/c1-23-6-5-18-15(22)10-3-4-12(13(7-10)24-2)25-16-19-8-11(9-20-16)14(17)21/h3-4,7-9H,5-6H2,1-2H3,(H2,17,21)(H,18,22).
What are the key properties of 2-[2-methoxy-4-(2-methoxyethylcarbamoyl)phenoxy]pyrimidine-5-carboxamide?
2-[2-methoxy-4-(2-methoxyethylcarbamoyl)phenoxy]pyrimidine-5-carboxamide has a molecular weight of 346.34 g/mol, XLogP of 0.75, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-(2-methoxyethylcarbamoyl)phenoxy]pyrimidine-5-carboxamide is sourced from PubChem (CID 142992517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).