2-(4-acetylphenoxy)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide

C18H20N4O3 — CID 71794922

IUPAC2-(4-acetylphenoxy)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide
SMILESCC(=O)c1ccc(OCC(=O)Nc2cc(N3CCCC3)ncn2)cc1
InChIInChI=1S/C18H20N4O3/c1-13(23)14-4-6-15(7-5-14)25-11-18(24)21-16-10-17(20-12-19-16)22-8-2-3-9-22/h4-7,10,12H,2-3,8-9,11H2,1H3,(H,19,20,21,24)
InChIKeyJRTCBSGNCQYQDU-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.30
Rot. Bonds6

About 2-(4-acetylphenoxy)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide

2-(4-acetylphenoxy)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide (PubChem CID 71794922) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-(4-acetylphenoxy)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-acetylphenoxy)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide
PubChem CID71794922
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name2-(4-acetylphenoxy)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide
SMILESCC(=O)c1ccc(OCC(=O)Nc2cc(N3CCCC3)ncn2)cc1
InChIInChI=1S/C18H20N4O3/c1-13(23)14-4-6-15(7-5-14)25-11-18(24)21-16-10-17(20-12-19-16)22-8-2-3-9-22/h4-7,10,12H,2-3,8-9,11H2,1H3,(H,19,20,21,24)
InChIKeyJRTCBSGNCQYQDU-UHFFFAOYSA-N
XLogP2.30
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylphenoxy)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide?
The IUPAC name of 2-(4-acetylphenoxy)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide (CID 71794922) is 2-(4-acetylphenoxy)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide.
What is the SMILES notation for 2-(4-acetylphenoxy)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide?
The canonical SMILES for 2-(4-acetylphenoxy)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide is CC(=O)c1ccc(OCC(=O)Nc2cc(N3CCCC3)ncn2)cc1.
What is the InChIKey of 2-(4-acetylphenoxy)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide?
The InChIKey is JRTCBSGNCQYQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-13(23)14-4-6-15(7-5-14)25-11-18(24)21-16-10-17(20-12-19-16)22-8-2-3-9-22/h4-7,10,12H,2-3,8-9,11H2,1H3,(H,19,20,21,24).
What are the key properties of 2-(4-acetylphenoxy)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide?
2-(4-acetylphenoxy)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide has a molecular weight of 340.38 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylphenoxy)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide is sourced from PubChem (CID 71794922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).