7-ethyl-2-(4-methoxyphenyl)-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one

C16H17N3O2 — CID 53193713

IUPAC7-ethyl-2-(4-methoxyphenyl)-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCCN1C(=O)Cc2c(C)nc(-c3ccc(OC)cc3)nc21
InChIInChI=1S/C16H17N3O2/c1-4-19-14(20)9-13-10(2)17-15(18-16(13)19)11-5-7-12(21-3)8-6-11/h5-8H,4,9H2,1-3H3
InChIKeyBNOQQJGWISYKPZ-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.37
Rot. Bonds3

About 7-ethyl-2-(4-methoxyphenyl)-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one

7-ethyl-2-(4-methoxyphenyl)-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 53193713) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 7-ethyl-2-(4-methoxyphenyl)-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name7-ethyl-2-(4-methoxyphenyl)-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID53193713
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name7-ethyl-2-(4-methoxyphenyl)-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCCN1C(=O)Cc2c(C)nc(-c3ccc(OC)cc3)nc21
InChIInChI=1S/C16H17N3O2/c1-4-19-14(20)9-13-10(2)17-15(18-16(13)19)11-5-7-12(21-3)8-6-11/h5-8H,4,9H2,1-3H3
InChIKeyBNOQQJGWISYKPZ-UHFFFAOYSA-N
XLogP2.37
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-(4-methoxyphenyl)-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 7-ethyl-2-(4-methoxyphenyl)-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 53193713) is 7-ethyl-2-(4-methoxyphenyl)-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 7-ethyl-2-(4-methoxyphenyl)-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 7-ethyl-2-(4-methoxyphenyl)-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one is CCN1C(=O)Cc2c(C)nc(-c3ccc(OC)cc3)nc21.
What is the InChIKey of 7-ethyl-2-(4-methoxyphenyl)-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is BNOQQJGWISYKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-4-19-14(20)9-13-10(2)17-15(18-16(13)19)11-5-7-12(21-3)8-6-11/h5-8H,4,9H2,1-3H3.
What are the key properties of 7-ethyl-2-(4-methoxyphenyl)-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
7-ethyl-2-(4-methoxyphenyl)-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 283.33 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-(4-methoxyphenyl)-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 53193713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).