2-(3,5-difluoro-4-pyridinyl)-4-(2-ethylhydrazinyl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one

C13H12F2N6O — CID 167133487

IUPAC2-(3,5-difluoro-4-pyridinyl)-4-(2-ethylhydrazinyl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one
SMILESCCNNc1nc(-c2c(F)cncc2F)nc2c1C(=O)NC2
InChIInChI=1S/C13H12F2N6O/c1-2-18-21-12-10-8(5-17-13(10)22)19-11(20-12)9-6(14)3-16-4-7(9)15/h3-4,18H,2,5H2,1H3,(H,17,22)(H,19,20,21)
InChIKeyDIZAZVBXPMDDGC-UHFFFAOYSA-N
MW306.28 g/mol
LogP1.00
Rot. Bonds4

About 2-(3,5-difluoro-4-pyridinyl)-4-(2-ethylhydrazinyl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one

2-(3,5-difluoro-4-pyridinyl)-4-(2-ethylhydrazinyl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one (PubChem CID 167133487) has the molecular formula C13H12F2N6O and a molecular weight of 306.28 g/mol. Its IUPAC name is 2-(3,5-difluoro-4-pyridinyl)-4-(2-ethylhydrazinyl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-(3,5-difluoro-4-pyridinyl)-4-(2-ethylhydrazinyl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one
PubChem CID167133487
Molecular FormulaC13H12F2N6O
Molecular Weight306.28 g/mol
Exact Mass306.10
IUPAC Name2-(3,5-difluoro-4-pyridinyl)-4-(2-ethylhydrazinyl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one
SMILESCCNNc1nc(-c2c(F)cncc2F)nc2c1C(=O)NC2
InChIInChI=1S/C13H12F2N6O/c1-2-18-21-12-10-8(5-17-13(10)22)19-11(20-12)9-6(14)3-16-4-7(9)15/h3-4,18H,2,5H2,1H3,(H,17,22)(H,19,20,21)
InChIKeyDIZAZVBXPMDDGC-UHFFFAOYSA-N
XLogP1.00
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[5-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]amino]pyrimidin-2-yl]-N-ethylacetamide
CID 118341425
N-[[6-(5,6-dihydro-4H-1,2,4-triazin-1-yl)-5-fluoro-3-pyridyl]methyl]-2-ethyl-8-fluoro-6-methyl-imidazo[1,2-a]pyridine-3-carboxamide
CID 156160054
[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]-[4-methyl-1-(6-methylpyrimidin-4-yl)-3,4,6,7-tetrahydro-2H-triazolo[4,5-c]pyridin-5-yl]methanone
CID 129152875
[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]-[4-methyl-1-(2-methylpyrimidin-4-yl)-3,4,6,7-tetrahydro-2H-triazolo[4,5-c]pyridin-5-yl]methanone
CID 129152940
2-(2,6-Difluorophenyl)-4-(2-ethylhydrazinyl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one
CID 145146664
2-[5-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]methyl]pyrimidin-2-yl]-N-ethylacetamide
CID 149359079
2-(2,6-Difluorophenyl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one
CID 153977719
6-[(2,6-dimethylpyrimidin-4-yl)amino]-1-(2-fluorophenyl)-2H-pyrazolo[4,3-c]pyridin-3-one
CID 164548879
1-(2,3-difluorophenyl)-6-[(2,6-dimethylpyrimidin-4-yl)amino]-2H-pyrazolo[4,3-c]pyridin-3-one
CID 164548883
6-[(2,6-dimethylpyrimidin-4-yl)amino]-1-(3-fluorophenyl)-2H-pyrazolo[4,3-c]pyridin-3-one
CID 164548913
2-(2,6-Difluorophenyl)-4-(piperidin-1-ylamino)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one
CID 166987657
2-(2,6-Difluorophenyl)-4-(2-piperidin-4-ylhydrazinyl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one
CID 166987661

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluoro-4-pyridinyl)-4-(2-ethylhydrazinyl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one?
The IUPAC name of 2-(3,5-difluoro-4-pyridinyl)-4-(2-ethylhydrazinyl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one (CID 167133487) is 2-(3,5-difluoro-4-pyridinyl)-4-(2-ethylhydrazinyl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one.
What is the SMILES notation for 2-(3,5-difluoro-4-pyridinyl)-4-(2-ethylhydrazinyl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one?
The canonical SMILES for 2-(3,5-difluoro-4-pyridinyl)-4-(2-ethylhydrazinyl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one is CCNNc1nc(-c2c(F)cncc2F)nc2c1C(=O)NC2.
What is the InChIKey of 2-(3,5-difluoro-4-pyridinyl)-4-(2-ethylhydrazinyl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one?
The InChIKey is DIZAZVBXPMDDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N6O/c1-2-18-21-12-10-8(5-17-13(10)22)19-11(20-12)9-6(14)3-16-4-7(9)15/h3-4,18H,2,5H2,1H3,(H,17,22)(H,19,20,21).
What are the key properties of 2-(3,5-difluoro-4-pyridinyl)-4-(2-ethylhydrazinyl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one?
2-(3,5-difluoro-4-pyridinyl)-4-(2-ethylhydrazinyl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one has a molecular weight of 306.28 g/mol, XLogP of 1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluoro-4-pyridinyl)-4-(2-ethylhydrazinyl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one is sourced from PubChem (CID 167133487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).