N-[4-(2,4-dimethoxypyrimidin-5-yl)phenyl]acetamide

C14H15N3O3 — CID 56719172

IUPACN-[4-(2,4-dimethoxypyrimidin-5-yl)phenyl]acetamide
SMILESCOc1ncc(-c2ccc(NC(C)=O)cc2)c(OC)n1
InChIInChI=1S/C14H15N3O3/c1-9(18)16-11-6-4-10(5-7-11)12-8-15-14(20-3)17-13(12)19-2/h4-8H,1-3H3,(H,16,18)
InChIKeyGUTVXBGNPGNACR-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.12
Rot. Bonds4

About N-[4-(2,4-dimethoxypyrimidin-5-yl)phenyl]acetamide

N-[4-(2,4-dimethoxypyrimidin-5-yl)phenyl]acetamide (PubChem CID 56719172) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-[4-(2,4-dimethoxypyrimidin-5-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(2,4-dimethoxypyrimidin-5-yl)phenyl]acetamide
PubChem CID56719172
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN-[4-(2,4-dimethoxypyrimidin-5-yl)phenyl]acetamide
SMILESCOc1ncc(-c2ccc(NC(C)=O)cc2)c(OC)n1
InChIInChI=1S/C14H15N3O3/c1-9(18)16-11-6-4-10(5-7-11)12-8-15-14(20-3)17-13(12)19-2/h4-8H,1-3H3,(H,16,18)
InChIKeyGUTVXBGNPGNACR-UHFFFAOYSA-N
XLogP2.12
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-dimethoxypyrimidin-5-yl)phenyl]acetamide?
The IUPAC name of N-[4-(2,4-dimethoxypyrimidin-5-yl)phenyl]acetamide (CID 56719172) is N-[4-(2,4-dimethoxypyrimidin-5-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(2,4-dimethoxypyrimidin-5-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(2,4-dimethoxypyrimidin-5-yl)phenyl]acetamide is COc1ncc(-c2ccc(NC(C)=O)cc2)c(OC)n1.
What is the InChIKey of N-[4-(2,4-dimethoxypyrimidin-5-yl)phenyl]acetamide?
The InChIKey is GUTVXBGNPGNACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-9(18)16-11-6-4-10(5-7-11)12-8-15-14(20-3)17-13(12)19-2/h4-8H,1-3H3,(H,16,18).
What are the key properties of N-[4-(2,4-dimethoxypyrimidin-5-yl)phenyl]acetamide?
N-[4-(2,4-dimethoxypyrimidin-5-yl)phenyl]acetamide has a molecular weight of 273.29 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-dimethoxypyrimidin-5-yl)phenyl]acetamide is sourced from PubChem (CID 56719172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).