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

C19H22FN5 — CID 163352817

IUPAC5-(6-cyclobutylpyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESFc1ccc(N2CC3CN(c4cc(C5CCC5)ncn4)CC3C2)nc1
InChIInChI=1S/C19H22FN5/c20-16-4-5-18(21-7-16)24-8-14-10-25(11-15(14)9-24)19-6-17(22-12-23-19)13-2-1-3-13/h4-7,12-15H,1-3,8-11H2
InChIKeyRHONTZDNOLFTLY-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.85
Rot. Bonds3

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

5-(6-cyclobutylpyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 163352817) has the molecular formula C19H22FN5 and a molecular weight of 339.42 g/mol. Its IUPAC name is 5-(6-cyclobutylpyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name5-(6-cyclobutylpyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID163352817
Molecular FormulaC19H22FN5
Molecular Weight339.42 g/mol
Exact Mass339.19
IUPAC Name5-(6-cyclobutylpyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESFc1ccc(N2CC3CN(c4cc(C5CCC5)ncn4)CC3C2)nc1
InChIInChI=1S/C19H22FN5/c20-16-4-5-18(21-7-16)24-8-14-10-25(11-15(14)9-24)19-6-17(22-12-23-19)13-2-1-3-13/h4-7,12-15H,1-3,8-11H2
InChIKeyRHONTZDNOLFTLY-UHFFFAOYSA-N
XLogP2.85
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(6-cyclobutylpyrimidin-4-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-(6-cyclopropylpyrimidin-4-yl)-2-(6-methylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126858092
4-cyclobutyl-6-(3-fluoropiperidin-1-yl)pyrimidine
CID 172880704
4-[[5-(6-cyclobutylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-methyl-1,2-oxazole
CID 126933715
4-[[5-(6-cyclobutylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]benzonitrile
CID 126933710
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
5-[[5-(6-cyclobutylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,2,4-oxadiazole
CID 126933770
5-(4,6-dimethylpyrimidin-2-yl)-2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 163352607
6-[5-(6-cyclobutylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-3-methyl-1H-pyrimidine-2,4-dione
CID 126933724
1-(6-cyclopropylpyrimidin-4-yl)azetidin-3-ol
CID 126850197
4-cyclopropyl-6-[4-(4-fluorophenoxy)piperidin-1-yl]pyrimidine
CID 70712024
1-(5-fluoro-2-pyridinyl)azetidin-3-amine
CID 63759054
5-[[5-(6-cyclobutylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-methyl-1,2-oxazole
CID 126933714

Frequently Asked Questions

What is the IUPAC name of 5-(6-cyclobutylpyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 5-(6-cyclobutylpyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 163352817) is 5-(6-cyclobutylpyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 5-(6-cyclobutylpyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 5-(6-cyclobutylpyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is Fc1ccc(N2CC3CN(c4cc(C5CCC5)ncn4)CC3C2)nc1.
What is the InChIKey of 5-(6-cyclobutylpyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is RHONTZDNOLFTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5/c20-16-4-5-18(21-7-16)24-8-14-10-25(11-15(14)9-24)19-6-17(22-12-23-19)13-2-1-3-13/h4-7,12-15H,1-3,8-11H2.
What are the key properties of 5-(6-cyclobutylpyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
5-(6-cyclobutylpyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 339.42 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-cyclobutylpyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 163352817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).