1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-phenylpropan-1-one

C15H15N3O — CID 71805759

IUPAC1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1Cc2cncnc2C1
InChIInChI=1S/C15H15N3O/c19-15(7-6-12-4-2-1-3-5-12)18-9-13-8-16-11-17-14(13)10-18/h1-5,8,11H,6-7,9-10H2
InChIKeyAUFVTLWYJIQEEF-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.95
Rot. Bonds3

About 1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-phenylpropan-1-one

1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-phenylpropan-1-one (PubChem CID 71805759) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-phenylpropan-1-one
PubChem CID71805759
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1Cc2cncnc2C1
InChIInChI=1S/C15H15N3O/c19-15(7-6-12-4-2-1-3-5-12)18-9-13-8-16-11-17-14(13)10-18/h1-5,8,11H,6-7,9-10H2
InChIKeyAUFVTLWYJIQEEF-UHFFFAOYSA-N
XLogP1.95
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-phenylpropan-1-one?
The IUPAC name of 1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-phenylpropan-1-one (CID 71805759) is 1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-phenylpropan-1-one.
What is the SMILES notation for 1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-phenylpropan-1-one?
The canonical SMILES for 1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-phenylpropan-1-one is O=C(CCc1ccccc1)N1Cc2cncnc2C1.
What is the InChIKey of 1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-phenylpropan-1-one?
The InChIKey is AUFVTLWYJIQEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c19-15(7-6-12-4-2-1-3-5-12)18-9-13-8-16-11-17-14(13)10-18/h1-5,8,11H,6-7,9-10H2.
What are the key properties of 1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-phenylpropan-1-one?
1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-phenylpropan-1-one has a molecular weight of 253.31 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-phenylpropan-1-one is sourced from PubChem (CID 71805759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).