2-(ethylamino)-6-(4-ethylphenyl)pyrrolo[3,4-d]pyrimidin-5-ol

C16H18N4O — CID 155542594

IUPAC2-(ethylamino)-6-(4-ethylphenyl)pyrrolo[3,4-d]pyrimidin-5-ol
SMILESCCNc1ncc2c(O)n(-c3ccc(CC)cc3)cc2n1
InChIInChI=1S/C16H18N4O/c1-3-11-5-7-12(8-6-11)20-10-14-13(15(20)21)9-18-16(19-14)17-4-2/h5-10,21H,3-4H2,1-2H3,(H,17,19)
InChIKeyZHPXTFALFGLPGL-UHFFFAOYSA-N
MW282.35 g/mol
LogP3.12
Rot. Bonds4

About 2-(ethylamino)-6-(4-ethylphenyl)pyrrolo[3,4-d]pyrimidin-5-ol

2-(ethylamino)-6-(4-ethylphenyl)pyrrolo[3,4-d]pyrimidin-5-ol (PubChem CID 155542594) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-(ethylamino)-6-(4-ethylphenyl)pyrrolo[3,4-d]pyrimidin-5-ol.

Molecular Properties

Compound Name2-(ethylamino)-6-(4-ethylphenyl)pyrrolo[3,4-d]pyrimidin-5-ol
PubChem CID155542594
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name2-(ethylamino)-6-(4-ethylphenyl)pyrrolo[3,4-d]pyrimidin-5-ol
SMILESCCNc1ncc2c(O)n(-c3ccc(CC)cc3)cc2n1
InChIInChI=1S/C16H18N4O/c1-3-11-5-7-12(8-6-11)20-10-14-13(15(20)21)9-18-16(19-14)17-4-2/h5-10,21H,3-4H2,1-2H3,(H,17,19)
InChIKeyZHPXTFALFGLPGL-UHFFFAOYSA-N
XLogP3.12
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-6-(4-ethylphenyl)pyrrolo[3,4-d]pyrimidin-5-ol?
The IUPAC name of 2-(ethylamino)-6-(4-ethylphenyl)pyrrolo[3,4-d]pyrimidin-5-ol (CID 155542594) is 2-(ethylamino)-6-(4-ethylphenyl)pyrrolo[3,4-d]pyrimidin-5-ol.
What is the SMILES notation for 2-(ethylamino)-6-(4-ethylphenyl)pyrrolo[3,4-d]pyrimidin-5-ol?
The canonical SMILES for 2-(ethylamino)-6-(4-ethylphenyl)pyrrolo[3,4-d]pyrimidin-5-ol is CCNc1ncc2c(O)n(-c3ccc(CC)cc3)cc2n1.
What is the InChIKey of 2-(ethylamino)-6-(4-ethylphenyl)pyrrolo[3,4-d]pyrimidin-5-ol?
The InChIKey is ZHPXTFALFGLPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-3-11-5-7-12(8-6-11)20-10-14-13(15(20)21)9-18-16(19-14)17-4-2/h5-10,21H,3-4H2,1-2H3,(H,17,19).
What are the key properties of 2-(ethylamino)-6-(4-ethylphenyl)pyrrolo[3,4-d]pyrimidin-5-ol?
2-(ethylamino)-6-(4-ethylphenyl)pyrrolo[3,4-d]pyrimidin-5-ol has a molecular weight of 282.35 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-6-(4-ethylphenyl)pyrrolo[3,4-d]pyrimidin-5-ol is sourced from PubChem (CID 155542594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).