5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(2,5-dimethylphenyl)methanone

C15H15N3O — CID 90585336

IUPAC5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(2,5-dimethylphenyl)methanone
SMILESCc1ccc(C)c(C(=O)N2Cc3cncnc3C2)c1
InChIInChI=1S/C15H15N3O/c1-10-3-4-11(2)13(5-10)15(19)18-7-12-6-16-9-17-14(12)8-18/h3-6,9H,7-8H2,1-2H3
InChIKeyUWINWCQPZVZCIJ-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.25
Rot. Bonds1

About 5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(2,5-dimethylphenyl)methanone

5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(2,5-dimethylphenyl)methanone (PubChem CID 90585336) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(2,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(2,5-dimethylphenyl)methanone
PubChem CID90585336
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(2,5-dimethylphenyl)methanone
SMILESCc1ccc(C)c(C(=O)N2Cc3cncnc3C2)c1
InChIInChI=1S/C15H15N3O/c1-10-3-4-11(2)13(5-10)15(19)18-7-12-6-16-9-17-14(12)8-18/h3-6,9H,7-8H2,1-2H3
InChIKeyUWINWCQPZVZCIJ-UHFFFAOYSA-N
XLogP2.25
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(2,5-dimethylfuran-3-yl)methanone
CID 71805753
7-(2,5-dimethylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 112532735
1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-(3-methylphenyl)ethanone
CID 71805760
methyl 4-(5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)benzoate
CID 71805783
5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(4-propylphenyl)methanone
CID 90585350
(4S)-4-(5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1-(3,4-dimethylphenyl)pyrrolidin-2-one
CID 97354962
4-(5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one
CID 90585410
4-(5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-N,N-dimethylbenzenesulfonamide
CID 71805819
(4-butoxyphenyl)-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone
CID 71805809
5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(5-ethyl-1,3-thiazol-2-yl)methanone
CID 154742387
6-(2,4-dimethylphenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 71805838
5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 71805800

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(2,5-dimethylphenyl)methanone?
The IUPAC name of 5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(2,5-dimethylphenyl)methanone (CID 90585336) is 5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(2,5-dimethylphenyl)methanone.
What is the SMILES notation for 5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(2,5-dimethylphenyl)methanone?
The canonical SMILES for 5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(2,5-dimethylphenyl)methanone is Cc1ccc(C)c(C(=O)N2Cc3cncnc3C2)c1.
What is the InChIKey of 5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(2,5-dimethylphenyl)methanone?
The InChIKey is UWINWCQPZVZCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-10-3-4-11(2)13(5-10)15(19)18-7-12-6-16-9-17-14(12)8-18/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(2,5-dimethylphenyl)methanone?
5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(2,5-dimethylphenyl)methanone has a molecular weight of 253.31 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(2,5-dimethylphenyl)methanone is sourced from PubChem (CID 90585336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).