3-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-ethylpropanamide

C19H22N4O2 — CID 50780023

IUPAC3-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-ethylpropanamide
SMILESCCNC(=O)CCn1cnc2c(c(C)c(C)n2-c2ccccc2)c1=O
InChIInChI=1S/C19H22N4O2/c1-4-20-16(24)10-11-22-12-21-18-17(19(22)25)13(2)14(3)23(18)15-8-6-5-7-9-15/h5-9,12H,4,10-11H2,1-3H3,(H,20,24)
InChIKeyVXVFTFYQJRGYBS-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.33
Rot. Bonds5

About 3-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-ethylpropanamide

3-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-ethylpropanamide (PubChem CID 50780023) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-ethylpropanamide.

Molecular Properties

Compound Name3-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-ethylpropanamide
PubChem CID50780023
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name3-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-ethylpropanamide
SMILESCCNC(=O)CCn1cnc2c(c(C)c(C)n2-c2ccccc2)c1=O
InChIInChI=1S/C19H22N4O2/c1-4-20-16(24)10-11-22-12-21-18-17(19(22)25)13(2)14(3)23(18)15-8-6-5-7-9-15/h5-9,12H,4,10-11H2,1-3H3,(H,20,24)
InChIKeyVXVFTFYQJRGYBS-UHFFFAOYSA-N
XLogP2.33
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-ethylpropanamide?
The IUPAC name of 3-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-ethylpropanamide (CID 50780023) is 3-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-ethylpropanamide.
What is the SMILES notation for 3-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-ethylpropanamide?
The canonical SMILES for 3-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-ethylpropanamide is CCNC(=O)CCn1cnc2c(c(C)c(C)n2-c2ccccc2)c1=O.
What is the InChIKey of 3-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-ethylpropanamide?
The InChIKey is VXVFTFYQJRGYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-4-20-16(24)10-11-22-12-21-18-17(19(22)25)13(2)14(3)23(18)15-8-6-5-7-9-15/h5-9,12H,4,10-11H2,1-3H3,(H,20,24).
What are the key properties of 3-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-ethylpropanamide?
3-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-ethylpropanamide has a molecular weight of 338.41 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-ethylpropanamide is sourced from PubChem (CID 50780023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).