5-(5-fluoropyrimidin-4-yl)-2-(6-methylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole

C15H17FN6 — CID 146079596

IUPAC5-(5-fluoropyrimidin-4-yl)-2-(6-methylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCc1ccc(N2CC3CN(c4ncncc4F)CC3C2)nn1
InChIInChI=1S/C15H17FN6/c1-10-2-3-14(20-19-10)21-5-11-7-22(8-12(11)6-21)15-13(16)4-17-9-18-15/h2-4,9,11-12H,5-8H2,1H3
InChIKeyQIFZPIUISWLTNC-UHFFFAOYSA-N
MW300.34 g/mol
LogP1.29
Rot. Bonds2

About 5-(5-fluoropyrimidin-4-yl)-2-(6-methylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole

5-(5-fluoropyrimidin-4-yl)-2-(6-methylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 146079596) has the molecular formula C15H17FN6 and a molecular weight of 300.34 g/mol. Its IUPAC name is 5-(5-fluoropyrimidin-4-yl)-2-(6-methylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name5-(5-fluoropyrimidin-4-yl)-2-(6-methylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID146079596
Molecular FormulaC15H17FN6
Molecular Weight300.34 g/mol
Exact Mass300.15
IUPAC Name5-(5-fluoropyrimidin-4-yl)-2-(6-methylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCc1ccc(N2CC3CN(c4ncncc4F)CC3C2)nn1
InChIInChI=1S/C15H17FN6/c1-10-2-3-14(20-19-10)21-5-11-7-22(8-12(11)6-21)15-13(16)4-17-9-18-15/h2-4,9,11-12H,5-8H2,1H3
InChIKeyQIFZPIUISWLTNC-UHFFFAOYSA-N
XLogP1.29
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(5-fluoropyrimidin-4-yl)-2-(6-methylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole with MolForge

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Related Compounds

3-(5-fluoropyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-amine
CID 129216597
4-[5-(5-fluoropyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 163348073
5-(6-cyclopropylpyrimidin-4-yl)-2-(6-methylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126858092
3-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-6-pyridin-2-ylpyridazine
CID 139029285
2-(2-cyclopropylpyrimidin-4-yl)-5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126934158
5-fluoro-4-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidine
CID 126892432
2-[[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one
CID 126864188
4-(3,3-difluoroazetidin-1-yl)-5-fluoropyrimidine
CID 171999318
N-[1-(5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-N-methylmethanesulfonamide
CID 154582483
[2-(6-methylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-quinoxalin-2-ylmethanone
CID 146080654
3-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-6-methylpyridazine
CID 126901305
5-(5,6-dimethylpyrimidin-4-yl)-2-pyrimidin-4-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126933577

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoropyrimidin-4-yl)-2-(6-methylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 5-(5-fluoropyrimidin-4-yl)-2-(6-methylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 146079596) is 5-(5-fluoropyrimidin-4-yl)-2-(6-methylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 5-(5-fluoropyrimidin-4-yl)-2-(6-methylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 5-(5-fluoropyrimidin-4-yl)-2-(6-methylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is Cc1ccc(N2CC3CN(c4ncncc4F)CC3C2)nn1.
What is the InChIKey of 5-(5-fluoropyrimidin-4-yl)-2-(6-methylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is QIFZPIUISWLTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN6/c1-10-2-3-14(20-19-10)21-5-11-7-22(8-12(11)6-21)15-13(16)4-17-9-18-15/h2-4,9,11-12H,5-8H2,1H3.
What are the key properties of 5-(5-fluoropyrimidin-4-yl)-2-(6-methylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
5-(5-fluoropyrimidin-4-yl)-2-(6-methylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 300.34 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoropyrimidin-4-yl)-2-(6-methylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 146079596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).