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

C19H22FN5 — CID 163354705

IUPAC5-(2-cyclopropyl-6-methylpyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCc1cc(N2CC3CN(c4ccc(F)cn4)CC3C2)nc(C2CC2)n1
InChIInChI=1S/C19H22FN5/c1-12-6-18(23-19(22-12)13-2-3-13)25-10-14-8-24(9-15(14)11-25)17-5-4-16(20)7-21-17/h4-7,13-15H,2-3,8-11H2,1H3
InChIKeyPMZMJUDFNHXYOU-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.77
Rot. Bonds3

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

5-(2-cyclopropyl-6-methylpyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 163354705) has the molecular formula C19H22FN5 and a molecular weight of 339.42 g/mol. Its IUPAC name is 5-(2-cyclopropyl-6-methylpyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name5-(2-cyclopropyl-6-methylpyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID163354705
Molecular FormulaC19H22FN5
Molecular Weight339.42 g/mol
Exact Mass339.19
IUPAC Name5-(2-cyclopropyl-6-methylpyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCc1cc(N2CC3CN(c4ccc(F)cn4)CC3C2)nc(C2CC2)n1
InChIInChI=1S/C19H22FN5/c1-12-6-18(23-19(22-12)13-2-3-13)25-10-14-8-24(9-15(14)11-25)17-5-4-16(20)7-21-17/h4-7,13-15H,2-3,8-11H2,1H3
InChIKeyPMZMJUDFNHXYOU-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopropyl-6-methylpyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 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) is 5-(2-cyclopropyl-6-methylpyrimidin-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-(2-cyclopropyl-6-methylpyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 5-(2-cyclopropyl-6-methylpyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is Cc1cc(N2CC3CN(c4ccc(F)cn4)CC3C2)nc(C2CC2)n1.
What is the InChIKey of 5-(2-cyclopropyl-6-methylpyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is PMZMJUDFNHXYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5/c1-12-6-18(23-19(22-12)13-2-3-13)25-10-14-8-24(9-15(14)11-25)17-5-4-16(20)7-21-17/h4-7,13-15H,2-3,8-11H2,1H3.
What are the key properties of 5-(2-cyclopropyl-6-methylpyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
5-(2-cyclopropyl-6-methylpyrimidin-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 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopropyl-6-methylpyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 163354705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).