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

C17H19N3O2 — CID 53193717

IUPAC2-(4-methoxyphenyl)-4-methyl-7-propan-2-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCOc1ccc(-c2nc(C)c3c(n2)N(C(C)C)C(=O)C3)cc1
InChIInChI=1S/C17H19N3O2/c1-10(2)20-15(21)9-14-11(3)18-16(19-17(14)20)12-5-7-13(22-4)8-6-12/h5-8,10H,9H2,1-4H3
InChIKeyQUXITGUXMPOPOF-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.76
Rot. Bonds3

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

2-(4-methoxyphenyl)-4-methyl-7-propan-2-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 53193717) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-4-methyl-7-propan-2-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-4-methyl-7-propan-2-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID53193717
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name2-(4-methoxyphenyl)-4-methyl-7-propan-2-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCOc1ccc(-c2nc(C)c3c(n2)N(C(C)C)C(=O)C3)cc1
InChIInChI=1S/C17H19N3O2/c1-10(2)20-15(21)9-14-11(3)18-16(19-17(14)20)12-5-7-13(22-4)8-6-12/h5-8,10H,9H2,1-4H3
InChIKeyQUXITGUXMPOPOF-UHFFFAOYSA-N
XLogP2.76
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-4-methyl-7-propan-2-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 2-(4-methoxyphenyl)-4-methyl-7-propan-2-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 53193717) is 2-(4-methoxyphenyl)-4-methyl-7-propan-2-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-4-methyl-7-propan-2-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 2-(4-methoxyphenyl)-4-methyl-7-propan-2-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one is COc1ccc(-c2nc(C)c3c(n2)N(C(C)C)C(=O)C3)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-4-methyl-7-propan-2-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is QUXITGUXMPOPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-10(2)20-15(21)9-14-11(3)18-16(19-17(14)20)12-5-7-13(22-4)8-6-12/h5-8,10H,9H2,1-4H3.
What are the key properties of 2-(4-methoxyphenyl)-4-methyl-7-propan-2-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
2-(4-methoxyphenyl)-4-methyl-7-propan-2-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 297.36 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-4-methyl-7-propan-2-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 53193717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).