N-[2-[(4,6-dimethoxypyrimidin-2-yl)-hydroxymethyl]-6-(methoxymethyl)phenyl]acetamide

C17H21N3O5 — CID 67133435

IUPACN-[2-[(4,6-dimethoxypyrimidin-2-yl)-hydroxymethyl]-6-(methoxymethyl)phenyl]acetamide
SMILESCOCc1cccc(C(O)c2nc(OC)cc(OC)n2)c1NC(C)=O
InChIInChI=1S/C17H21N3O5/c1-10(21)18-15-11(9-23-2)6-5-7-12(15)16(22)17-19-13(24-3)8-14(20-17)25-4/h5-8,16,22H,9H2,1-4H3,(H,18,21)
InChIKeyUITALRLUUIMHNR-UHFFFAOYSA-N
MW347.37 g/mol
LogP1.68
Rot. Bonds7

About N-[2-[(4,6-dimethoxypyrimidin-2-yl)-hydroxymethyl]-6-(methoxymethyl)phenyl]acetamide

N-[2-[(4,6-dimethoxypyrimidin-2-yl)-hydroxymethyl]-6-(methoxymethyl)phenyl]acetamide (PubChem CID 67133435) has the molecular formula C17H21N3O5 and a molecular weight of 347.37 g/mol. Its IUPAC name is N-[2-[(4,6-dimethoxypyrimidin-2-yl)-hydroxymethyl]-6-(methoxymethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[(4,6-dimethoxypyrimidin-2-yl)-hydroxymethyl]-6-(methoxymethyl)phenyl]acetamide
PubChem CID67133435
Molecular FormulaC17H21N3O5
Molecular Weight347.37 g/mol
Exact Mass347.15
IUPAC NameN-[2-[(4,6-dimethoxypyrimidin-2-yl)-hydroxymethyl]-6-(methoxymethyl)phenyl]acetamide
SMILESCOCc1cccc(C(O)c2nc(OC)cc(OC)n2)c1NC(C)=O
InChIInChI=1S/C17H21N3O5/c1-10(21)18-15-11(9-23-2)6-5-7-12(15)16(22)17-19-13(24-3)8-14(20-17)25-4/h5-8,16,22H,9H2,1-4H3,(H,18,21)
InChIKeyUITALRLUUIMHNR-UHFFFAOYSA-N
XLogP1.68
TPSA102.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4,6-dimethoxypyrimidin-2-yl)-hydroxymethyl]-6-(methoxymethyl)phenyl]acetamide?
The IUPAC name of N-[2-[(4,6-dimethoxypyrimidin-2-yl)-hydroxymethyl]-6-(methoxymethyl)phenyl]acetamide (CID 67133435) is N-[2-[(4,6-dimethoxypyrimidin-2-yl)-hydroxymethyl]-6-(methoxymethyl)phenyl]acetamide.
What is the SMILES notation for N-[2-[(4,6-dimethoxypyrimidin-2-yl)-hydroxymethyl]-6-(methoxymethyl)phenyl]acetamide?
The canonical SMILES for N-[2-[(4,6-dimethoxypyrimidin-2-yl)-hydroxymethyl]-6-(methoxymethyl)phenyl]acetamide is COCc1cccc(C(O)c2nc(OC)cc(OC)n2)c1NC(C)=O.
What is the InChIKey of N-[2-[(4,6-dimethoxypyrimidin-2-yl)-hydroxymethyl]-6-(methoxymethyl)phenyl]acetamide?
The InChIKey is UITALRLUUIMHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5/c1-10(21)18-15-11(9-23-2)6-5-7-12(15)16(22)17-19-13(24-3)8-14(20-17)25-4/h5-8,16,22H,9H2,1-4H3,(H,18,21).
What are the key properties of N-[2-[(4,6-dimethoxypyrimidin-2-yl)-hydroxymethyl]-6-(methoxymethyl)phenyl]acetamide?
N-[2-[(4,6-dimethoxypyrimidin-2-yl)-hydroxymethyl]-6-(methoxymethyl)phenyl]acetamide has a molecular weight of 347.37 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4,6-dimethoxypyrimidin-2-yl)-hydroxymethyl]-6-(methoxymethyl)phenyl]acetamide is sourced from PubChem (CID 67133435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).