4-methyl-2-phenyl-7-(2-piperidin-1-ylethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one

C20H24N4O — CID 53193683

IUPAC4-methyl-2-phenyl-7-(2-piperidin-1-ylethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCc1nc(-c2ccccc2)nc2c1CC(=O)N2CCN1CCCCC1
InChIInChI=1S/C20H24N4O/c1-15-17-14-18(25)24(13-12-23-10-6-3-7-11-23)20(17)22-19(21-15)16-8-4-2-5-9-16/h2,4-5,8-9H,3,6-7,10-14H2,1H3
InChIKeyQFWDZDKLEXUYKN-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.83
Rot. Bonds4

About 4-methyl-2-phenyl-7-(2-piperidin-1-ylethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one

4-methyl-2-phenyl-7-(2-piperidin-1-ylethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 53193683) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 4-methyl-2-phenyl-7-(2-piperidin-1-ylethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-phenyl-7-(2-piperidin-1-ylethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID53193683
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name4-methyl-2-phenyl-7-(2-piperidin-1-ylethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCc1nc(-c2ccccc2)nc2c1CC(=O)N2CCN1CCCCC1
InChIInChI=1S/C20H24N4O/c1-15-17-14-18(25)24(13-12-23-10-6-3-7-11-23)20(17)22-19(21-15)16-8-4-2-5-9-16/h2,4-5,8-9H,3,6-7,10-14H2,1H3
InChIKeyQFWDZDKLEXUYKN-UHFFFAOYSA-N
XLogP2.83
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenyl-7-(2-piperidin-1-ylethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 4-methyl-2-phenyl-7-(2-piperidin-1-ylethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 53193683) is 4-methyl-2-phenyl-7-(2-piperidin-1-ylethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-phenyl-7-(2-piperidin-1-ylethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-phenyl-7-(2-piperidin-1-ylethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one is Cc1nc(-c2ccccc2)nc2c1CC(=O)N2CCN1CCCCC1.
What is the InChIKey of 4-methyl-2-phenyl-7-(2-piperidin-1-ylethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is QFWDZDKLEXUYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-15-17-14-18(25)24(13-12-23-10-6-3-7-11-23)20(17)22-19(21-15)16-8-4-2-5-9-16/h2,4-5,8-9H,3,6-7,10-14H2,1H3.
What are the key properties of 4-methyl-2-phenyl-7-(2-piperidin-1-ylethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?
4-methyl-2-phenyl-7-(2-piperidin-1-ylethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 336.44 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenyl-7-(2-piperidin-1-ylethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 53193683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).