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

C17H19N3O — CID 53014139

IUPAC4-methyl-2-(4-methylphenyl)-7-propyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCCCN1C(=O)Cc2c(C)nc(-c3ccc(C)cc3)nc21
InChIInChI=1S/C17H19N3O/c1-4-9-20-15(21)10-14-12(3)18-16(19-17(14)20)13-7-5-11(2)6-8-13/h5-8H,4,9-10H2,1-3H3
InChIKeyMBQXJKRVCSIBOV-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.06
Rot. Bonds3

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

4-methyl-2-(4-methylphenyl)-7-propyl-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 53014139) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-methyl-2-(4-methylphenyl)-7-propyl-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-(4-methylphenyl)-7-propyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID53014139
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name4-methyl-2-(4-methylphenyl)-7-propyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCCCN1C(=O)Cc2c(C)nc(-c3ccc(C)cc3)nc21
InChIInChI=1S/C17H19N3O/c1-4-9-20-15(21)10-14-12(3)18-16(19-17(14)20)13-7-5-11(2)6-8-13/h5-8H,4,9-10H2,1-3H3
InChIKeyMBQXJKRVCSIBOV-UHFFFAOYSA-N
XLogP3.06
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-methylphenyl)-7-propyl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 4-methyl-2-(4-methylphenyl)-7-propyl-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 53014139) is 4-methyl-2-(4-methylphenyl)-7-propyl-5H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-(4-methylphenyl)-7-propyl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-(4-methylphenyl)-7-propyl-5H-pyrrolo[2,3-d]pyrimidin-6-one is CCCN1C(=O)Cc2c(C)nc(-c3ccc(C)cc3)nc21.
What is the InChIKey of 4-methyl-2-(4-methylphenyl)-7-propyl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is MBQXJKRVCSIBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-4-9-20-15(21)10-14-12(3)18-16(19-17(14)20)13-7-5-11(2)6-8-13/h5-8H,4,9-10H2,1-3H3.
What are the key properties of 4-methyl-2-(4-methylphenyl)-7-propyl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
4-methyl-2-(4-methylphenyl)-7-propyl-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 281.36 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-methylphenyl)-7-propyl-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 53014139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).