3-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxy-N-phenylbenzamide

C20H16N4O2 — CID 52942278

IUPAC3-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxy-N-phenylbenzamide
SMILESCn1ccc2ncnc(Oc3cccc(C(=O)Nc4ccccc4)c3)c21
InChIInChI=1S/C20H16N4O2/c1-24-11-10-17-18(24)20(22-13-21-17)26-16-9-5-6-14(12-16)19(25)23-15-7-3-2-4-8-15/h2-13H,1H3,(H,23,25)
InChIKeySPESUKLLJMFRNX-UHFFFAOYSA-N
MW344.37 g/mol
LogP4.01
Rot. Bonds4

About 3-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxy-N-phenylbenzamide

3-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxy-N-phenylbenzamide (PubChem CID 52942278) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is 3-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxy-N-phenylbenzamide.

Molecular Properties

Compound Name3-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxy-N-phenylbenzamide
PubChem CID52942278
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC Name3-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxy-N-phenylbenzamide
SMILESCn1ccc2ncnc(Oc3cccc(C(=O)Nc4ccccc4)c3)c21
InChIInChI=1S/C20H16N4O2/c1-24-11-10-17-18(24)20(22-13-21-17)26-16-9-5-6-14(12-16)19(25)23-15-7-3-2-4-8-15/h2-13H,1H3,(H,23,25)
InChIKeySPESUKLLJMFRNX-UHFFFAOYSA-N
XLogP4.01
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxy-N-phenylbenzamide?
The IUPAC name of 3-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxy-N-phenylbenzamide (CID 52942278) is 3-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxy-N-phenylbenzamide.
What is the SMILES notation for 3-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxy-N-phenylbenzamide?
The canonical SMILES for 3-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxy-N-phenylbenzamide is Cn1ccc2ncnc(Oc3cccc(C(=O)Nc4ccccc4)c3)c21.
What is the InChIKey of 3-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxy-N-phenylbenzamide?
The InChIKey is SPESUKLLJMFRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c1-24-11-10-17-18(24)20(22-13-21-17)26-16-9-5-6-14(12-16)19(25)23-15-7-3-2-4-8-15/h2-13H,1H3,(H,23,25).
What are the key properties of 3-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxy-N-phenylbenzamide?
3-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxy-N-phenylbenzamide has a molecular weight of 344.37 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxy-N-phenylbenzamide is sourced from PubChem (CID 52942278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).