(2R)-1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-phenylpropan-1-one

C15H15N3O — CID 138005206

IUPAC(2R)-1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-phenylpropan-1-one
SMILESC[C@@H](C(=O)N1Cc2cncnc2C1)c1ccccc1
InChIInChI=1S/C15H15N3O/c1-11(12-5-3-2-4-6-12)15(19)18-8-13-7-16-10-17-14(13)9-18/h2-7,10-11H,8-9H2,1H3/t11-/m1/s1
InChIKeyYEIQTMZWHBSGDH-LLVKDONJSA-N
MW253.31 g/mol
LogP2.12
Rot. Bonds2

About (2R)-1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-phenylpropan-1-one

(2R)-1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-phenylpropan-1-one (PubChem CID 138005206) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is (2R)-1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-phenylpropan-1-one.

Molecular Properties

Compound Name(2R)-1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-phenylpropan-1-one
PubChem CID138005206
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name(2R)-1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-phenylpropan-1-one
SMILESC[C@@H](C(=O)N1Cc2cncnc2C1)c1ccccc1
InChIInChI=1S/C15H15N3O/c1-11(12-5-3-2-4-6-12)15(19)18-8-13-7-16-10-17-14(13)9-18/h2-7,10-11H,8-9H2,1H3/t11-/m1/s1
InChIKeyYEIQTMZWHBSGDH-LLVKDONJSA-N
XLogP2.12
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-phenylbutan-1-one
CID 97354955
1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-phenoxypropan-1-one
CID 71805777
(2R)-2-phenyl-1-[4-[(2R)-2-phenylpropanoyl]piperazin-1-yl]propan-1-one
CID 94855656
5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 71805800
2-[2-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]isoindole-1,3-dione
CID 90585397
N-(2-fluorophenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 90585516
1-[2-(1-acetylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylpropan-1-one
CID 110241791
methyl 4-(5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)benzoate
CID 71805783
4-(2-phenylpropanoyl)piperazine-1-carboxylic acid
CID 123978290
(2R)-1-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-phenylbutan-1-one
CID 95226511
1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-(3-methylphenyl)ethanone
CID 71805760
5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(2,5-dimethylfuran-3-yl)methanone
CID 71805753

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-phenylpropan-1-one?
The IUPAC name of (2R)-1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-phenylpropan-1-one (CID 138005206) is (2R)-1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-phenylpropan-1-one.
What is the SMILES notation for (2R)-1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-phenylpropan-1-one?
The canonical SMILES for (2R)-1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-phenylpropan-1-one is C[C@@H](C(=O)N1Cc2cncnc2C1)c1ccccc1.
What is the InChIKey of (2R)-1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-phenylpropan-1-one?
The InChIKey is YEIQTMZWHBSGDH-LLVKDONJSA-N. The full InChI is InChI=1S/C15H15N3O/c1-11(12-5-3-2-4-6-12)15(19)18-8-13-7-16-10-17-14(13)9-18/h2-7,10-11H,8-9H2,1H3/t11-/m1/s1.
What are the key properties of (2R)-1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-phenylpropan-1-one?
(2R)-1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-phenylpropan-1-one has a molecular weight of 253.31 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-phenylpropan-1-one is sourced from PubChem (CID 138005206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).