2-(dimethylamino)-6-(1-phenylethyl)-7H-pyrrolo[3,4-d]pyrimidin-5-one

C16H18N4O — CID 56730130

IUPAC2-(dimethylamino)-6-(1-phenylethyl)-7H-pyrrolo[3,4-d]pyrimidin-5-one
SMILESCC(c1ccccc1)N1Cc2nc(N(C)C)ncc2C1=O
InChIInChI=1S/C16H18N4O/c1-11(12-7-5-4-6-8-12)20-10-14-13(15(20)21)9-17-16(18-14)19(2)3/h4-9,11H,10H2,1-3H3
InChIKeyGFSRHZXHAFRDGD-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.26
Rot. Bonds3

About 2-(dimethylamino)-6-(1-phenylethyl)-7H-pyrrolo[3,4-d]pyrimidin-5-one

2-(dimethylamino)-6-(1-phenylethyl)-7H-pyrrolo[3,4-d]pyrimidin-5-one (PubChem CID 56730130) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-(dimethylamino)-6-(1-phenylethyl)-7H-pyrrolo[3,4-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-(dimethylamino)-6-(1-phenylethyl)-7H-pyrrolo[3,4-d]pyrimidin-5-one
PubChem CID56730130
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name2-(dimethylamino)-6-(1-phenylethyl)-7H-pyrrolo[3,4-d]pyrimidin-5-one
SMILESCC(c1ccccc1)N1Cc2nc(N(C)C)ncc2C1=O
InChIInChI=1S/C16H18N4O/c1-11(12-7-5-4-6-8-12)20-10-14-13(15(20)21)9-17-16(18-14)19(2)3/h4-9,11H,10H2,1-3H3
InChIKeyGFSRHZXHAFRDGD-UHFFFAOYSA-N
XLogP2.26
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-6-(1-phenylethyl)-7H-pyrrolo[3,4-d]pyrimidin-5-one?
The IUPAC name of 2-(dimethylamino)-6-(1-phenylethyl)-7H-pyrrolo[3,4-d]pyrimidin-5-one (CID 56730130) is 2-(dimethylamino)-6-(1-phenylethyl)-7H-pyrrolo[3,4-d]pyrimidin-5-one.
What is the SMILES notation for 2-(dimethylamino)-6-(1-phenylethyl)-7H-pyrrolo[3,4-d]pyrimidin-5-one?
The canonical SMILES for 2-(dimethylamino)-6-(1-phenylethyl)-7H-pyrrolo[3,4-d]pyrimidin-5-one is CC(c1ccccc1)N1Cc2nc(N(C)C)ncc2C1=O.
What is the InChIKey of 2-(dimethylamino)-6-(1-phenylethyl)-7H-pyrrolo[3,4-d]pyrimidin-5-one?
The InChIKey is GFSRHZXHAFRDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-11(12-7-5-4-6-8-12)20-10-14-13(15(20)21)9-17-16(18-14)19(2)3/h4-9,11H,10H2,1-3H3.
What are the key properties of 2-(dimethylamino)-6-(1-phenylethyl)-7H-pyrrolo[3,4-d]pyrimidin-5-one?
2-(dimethylamino)-6-(1-phenylethyl)-7H-pyrrolo[3,4-d]pyrimidin-5-one has a molecular weight of 282.35 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-6-(1-phenylethyl)-7H-pyrrolo[3,4-d]pyrimidin-5-one is sourced from PubChem (CID 56730130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).