N-ethyl-2-(3-ethyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-phenylacetamide

C24H24N4O2 — CID 53131600

IUPACN-ethyl-2-(3-ethyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-phenylacetamide
SMILESCCN(C(=O)Cn1cc(-c2ccccc2)c2ncn(CC)c(=O)c21)c1ccccc1
InChIInChI=1S/C24H24N4O2/c1-3-26-17-25-22-20(18-11-7-5-8-12-18)15-27(23(22)24(26)30)16-21(29)28(4-2)19-13-9-6-10-14-19/h5-15,17H,3-4,16H2,1-2H3
InChIKeyXRYMKKHVHJJNPW-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.94
Rot. Bonds6

About N-ethyl-2-(3-ethyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-phenylacetamide

N-ethyl-2-(3-ethyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-phenylacetamide (PubChem CID 53131600) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-ethyl-2-(3-ethyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-phenylacetamide.

Molecular Properties

Compound NameN-ethyl-2-(3-ethyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-phenylacetamide
PubChem CID53131600
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC NameN-ethyl-2-(3-ethyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-phenylacetamide
SMILESCCN(C(=O)Cn1cc(-c2ccccc2)c2ncn(CC)c(=O)c21)c1ccccc1
InChIInChI=1S/C24H24N4O2/c1-3-26-17-25-22-20(18-11-7-5-8-12-18)15-27(23(22)24(26)30)16-21(29)28(4-2)19-13-9-6-10-14-19/h5-15,17H,3-4,16H2,1-2H3
InChIKeyXRYMKKHVHJJNPW-UHFFFAOYSA-N
XLogP3.94
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-ethyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-phenylacetamide?
The IUPAC name of N-ethyl-2-(3-ethyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-phenylacetamide (CID 53131600) is N-ethyl-2-(3-ethyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-phenylacetamide.
What is the SMILES notation for N-ethyl-2-(3-ethyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-phenylacetamide?
The canonical SMILES for N-ethyl-2-(3-ethyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-phenylacetamide is CCN(C(=O)Cn1cc(-c2ccccc2)c2ncn(CC)c(=O)c21)c1ccccc1.
What is the InChIKey of N-ethyl-2-(3-ethyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-phenylacetamide?
The InChIKey is XRYMKKHVHJJNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-3-26-17-25-22-20(18-11-7-5-8-12-18)15-27(23(22)24(26)30)16-21(29)28(4-2)19-13-9-6-10-14-19/h5-15,17H,3-4,16H2,1-2H3.
What are the key properties of N-ethyl-2-(3-ethyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-phenylacetamide?
N-ethyl-2-(3-ethyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-phenylacetamide has a molecular weight of 400.48 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-ethyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-phenylacetamide is sourced from PubChem (CID 53131600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).