5-(4,6-dimethylpyrimidin-2-yl)-2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole

C17H20FN5 — CID 163352607

IUPAC5-(4,6-dimethylpyrimidin-2-yl)-2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCc1cc(C)nc(N2CC3CN(c4ccc(F)cn4)CC3C2)n1
InChIInChI=1S/C17H20FN5/c1-11-5-12(2)21-17(20-11)23-9-13-7-22(8-14(13)10-23)16-4-3-15(18)6-19-16/h3-6,13-14H,7-10H2,1-2H3
InChIKeyLWBILFPNHYJYEK-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.20
Rot. Bonds2

About 5-(4,6-dimethylpyrimidin-2-yl)-2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole

5-(4,6-dimethylpyrimidin-2-yl)-2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 163352607) has the molecular formula C17H20FN5 and a molecular weight of 313.38 g/mol. Its IUPAC name is 5-(4,6-dimethylpyrimidin-2-yl)-2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name5-(4,6-dimethylpyrimidin-2-yl)-2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID163352607
Molecular FormulaC17H20FN5
Molecular Weight313.38 g/mol
Exact Mass313.17
IUPAC Name5-(4,6-dimethylpyrimidin-2-yl)-2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCc1cc(C)nc(N2CC3CN(c4ccc(F)cn4)CC3C2)n1
InChIInChI=1S/C17H20FN5/c1-11-5-12(2)21-17(20-11)23-9-13-7-22(8-14(13)10-23)16-4-3-15(18)6-19-16/h3-6,13-14H,7-10H2,1-2H3
InChIKeyLWBILFPNHYJYEK-UHFFFAOYSA-N
XLogP2.20
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

5-(2-cyclopropyl-6-methylpyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 163354705
2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine
CID 165432979
2-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-5-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126933117
1-(5-fluoro-2-pyridinyl)azetidin-3-amine
CID 63759054
5-(5-fluoropyrimidin-2-yl)-2-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126931694
5-(6-cyclobutylpyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 163352817
3-[2-[2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]-6-methylpyrimidin-4-one
CID 163358450
[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[5-fluoro-2-(triazol-2-yl)phenyl]methanone
CID 52917537
2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-4,6-dimethylpyrimidine
CID 126892916
[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-fluorophenyl)methanone
CID 52917242
ethane;2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-5-methylpyrimidine
CID 178161753
2-(4-chloro-3-methylpiperidin-1-yl)-5-fluoropyridine
CID 114682637

Frequently Asked Questions

What is the IUPAC name of 5-(4,6-dimethylpyrimidin-2-yl)-2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 5-(4,6-dimethylpyrimidin-2-yl)-2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 163352607) is 5-(4,6-dimethylpyrimidin-2-yl)-2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 5-(4,6-dimethylpyrimidin-2-yl)-2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 5-(4,6-dimethylpyrimidin-2-yl)-2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is Cc1cc(C)nc(N2CC3CN(c4ccc(F)cn4)CC3C2)n1.
What is the InChIKey of 5-(4,6-dimethylpyrimidin-2-yl)-2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is LWBILFPNHYJYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5/c1-11-5-12(2)21-17(20-11)23-9-13-7-22(8-14(13)10-23)16-4-3-15(18)6-19-16/h3-6,13-14H,7-10H2,1-2H3.
What are the key properties of 5-(4,6-dimethylpyrimidin-2-yl)-2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
5-(4,6-dimethylpyrimidin-2-yl)-2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 313.38 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,6-dimethylpyrimidin-2-yl)-2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 163352607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).