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

C16H18N4O — CID 155541503

IUPAC2-(dimethylamino)-6-(1-phenylethyl)pyrrolo[3,4-d]pyrimidin-5-ol
SMILESCC(c1ccccc1)n1cc2nc(N(C)C)ncc2c1O
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/h4-11,21H,1-3H3
InChIKeyGUUITPIDSGJWNK-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.81
Rot. Bonds3

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

2-(dimethylamino)-6-(1-phenylethyl)pyrrolo[3,4-d]pyrimidin-5-ol (PubChem CID 155541503) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-(dimethylamino)-6-(1-phenylethyl)pyrrolo[3,4-d]pyrimidin-5-ol.

Molecular Properties

Compound Name2-(dimethylamino)-6-(1-phenylethyl)pyrrolo[3,4-d]pyrimidin-5-ol
PubChem CID155541503
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name2-(dimethylamino)-6-(1-phenylethyl)pyrrolo[3,4-d]pyrimidin-5-ol
SMILESCC(c1ccccc1)n1cc2nc(N(C)C)ncc2c1O
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/h4-11,21H,1-3H3
InChIKeyGUUITPIDSGJWNK-UHFFFAOYSA-N
XLogP2.81
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-6-(1-phenylethyl)pyrrolo[3,4-d]pyrimidin-5-ol?
The IUPAC name of 2-(dimethylamino)-6-(1-phenylethyl)pyrrolo[3,4-d]pyrimidin-5-ol (CID 155541503) is 2-(dimethylamino)-6-(1-phenylethyl)pyrrolo[3,4-d]pyrimidin-5-ol.
What is the SMILES notation for 2-(dimethylamino)-6-(1-phenylethyl)pyrrolo[3,4-d]pyrimidin-5-ol?
The canonical SMILES for 2-(dimethylamino)-6-(1-phenylethyl)pyrrolo[3,4-d]pyrimidin-5-ol is CC(c1ccccc1)n1cc2nc(N(C)C)ncc2c1O.
What is the InChIKey of 2-(dimethylamino)-6-(1-phenylethyl)pyrrolo[3,4-d]pyrimidin-5-ol?
The InChIKey is GUUITPIDSGJWNK-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/h4-11,21H,1-3H3.
What are the key properties of 2-(dimethylamino)-6-(1-phenylethyl)pyrrolo[3,4-d]pyrimidin-5-ol?
2-(dimethylamino)-6-(1-phenylethyl)pyrrolo[3,4-d]pyrimidin-5-ol has a molecular weight of 282.35 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-6-(1-phenylethyl)pyrrolo[3,4-d]pyrimidin-5-ol is sourced from PubChem (CID 155541503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).