2-(2-methyl-4-pyrimidin-5-ylphenoxy)acetamide

C13H13N3O2 — CID 39834464

IUPAC2-(2-methyl-4-pyrimidin-5-ylphenoxy)acetamide
SMILESCc1cc(-c2cncnc2)ccc1OCC(N)=O
InChIInChI=1S/C13H13N3O2/c1-9-4-10(11-5-15-8-16-6-11)2-3-12(9)18-7-13(14)17/h2-6,8H,7H2,1H3,(H2,14,17)
InChIKeyLQKOINPNFBWJKJ-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.32
Rot. Bonds4

About 2-(2-methyl-4-pyrimidin-5-ylphenoxy)acetamide

2-(2-methyl-4-pyrimidin-5-ylphenoxy)acetamide (PubChem CID 39834464) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 2-(2-methyl-4-pyrimidin-5-ylphenoxy)acetamide.

Molecular Properties

Compound Name2-(2-methyl-4-pyrimidin-5-ylphenoxy)acetamide
PubChem CID39834464
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name2-(2-methyl-4-pyrimidin-5-ylphenoxy)acetamide
SMILESCc1cc(-c2cncnc2)ccc1OCC(N)=O
InChIInChI=1S/C13H13N3O2/c1-9-4-10(11-5-15-8-16-6-11)2-3-12(9)18-7-13(14)17/h2-6,8H,7H2,1H3,(H2,14,17)
InChIKeyLQKOINPNFBWJKJ-UHFFFAOYSA-N
XLogP1.32
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-pyrimidin-5-ylphenoxy)acetamide?
The IUPAC name of 2-(2-methyl-4-pyrimidin-5-ylphenoxy)acetamide (CID 39834464) is 2-(2-methyl-4-pyrimidin-5-ylphenoxy)acetamide.
What is the SMILES notation for 2-(2-methyl-4-pyrimidin-5-ylphenoxy)acetamide?
The canonical SMILES for 2-(2-methyl-4-pyrimidin-5-ylphenoxy)acetamide is Cc1cc(-c2cncnc2)ccc1OCC(N)=O.
What is the InChIKey of 2-(2-methyl-4-pyrimidin-5-ylphenoxy)acetamide?
The InChIKey is LQKOINPNFBWJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-9-4-10(11-5-15-8-16-6-11)2-3-12(9)18-7-13(14)17/h2-6,8H,7H2,1H3,(H2,14,17).
What are the key properties of 2-(2-methyl-4-pyrimidin-5-ylphenoxy)acetamide?
2-(2-methyl-4-pyrimidin-5-ylphenoxy)acetamide has a molecular weight of 243.27 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-pyrimidin-5-ylphenoxy)acetamide is sourced from PubChem (CID 39834464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).