2-methyl-5-(5-methylpyrimidin-2-yl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole

C17H19F3N6 — CID 154582415

IUPAC2-methyl-5-(5-methylpyrimidin-2-yl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
SMILESCc1cnc(N2CC3CC(C)N(c4nccc(C(F)(F)F)n4)C3C2)nc1
InChIInChI=1S/C17H19F3N6/c1-10-6-22-15(23-7-10)25-8-12-5-11(2)26(13(12)9-25)16-21-4-3-14(24-16)17(18,19)20/h3-4,6-7,11-13H,5,8-9H2,1-2H3
InChIKeyCLCWDMLDJOFGGQ-UHFFFAOYSA-N
MW364.38 g/mol
LogP2.70
Rot. Bonds2

About 2-methyl-5-(5-methylpyrimidin-2-yl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole

2-methyl-5-(5-methylpyrimidin-2-yl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole (PubChem CID 154582415) has the molecular formula C17H19F3N6 and a molecular weight of 364.38 g/mol. Its IUPAC name is 2-methyl-5-(5-methylpyrimidin-2-yl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole.

Molecular Properties

Compound Name2-methyl-5-(5-methylpyrimidin-2-yl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
PubChem CID154582415
Molecular FormulaC17H19F3N6
Molecular Weight364.38 g/mol
Exact Mass364.16
IUPAC Name2-methyl-5-(5-methylpyrimidin-2-yl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
SMILESCc1cnc(N2CC3CC(C)N(c4nccc(C(F)(F)F)n4)C3C2)nc1
InChIInChI=1S/C17H19F3N6/c1-10-6-22-15(23-7-10)25-8-12-5-11(2)26(13(12)9-25)16-21-4-3-14(24-16)17(18,19)20/h3-4,6-7,11-13H,5,8-9H2,1-2H3
InChIKeyCLCWDMLDJOFGGQ-UHFFFAOYSA-N
XLogP2.70
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(5-methylpyrimidin-2-yl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole?
The IUPAC name of 2-methyl-5-(5-methylpyrimidin-2-yl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole (CID 154582415) is 2-methyl-5-(5-methylpyrimidin-2-yl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole.
What is the SMILES notation for 2-methyl-5-(5-methylpyrimidin-2-yl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole?
The canonical SMILES for 2-methyl-5-(5-methylpyrimidin-2-yl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole is Cc1cnc(N2CC3CC(C)N(c4nccc(C(F)(F)F)n4)C3C2)nc1.
What is the InChIKey of 2-methyl-5-(5-methylpyrimidin-2-yl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole?
The InChIKey is CLCWDMLDJOFGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N6/c1-10-6-22-15(23-7-10)25-8-12-5-11(2)26(13(12)9-25)16-21-4-3-14(24-16)17(18,19)20/h3-4,6-7,11-13H,5,8-9H2,1-2H3.
What are the key properties of 2-methyl-5-(5-methylpyrimidin-2-yl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole?
2-methyl-5-(5-methylpyrimidin-2-yl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole has a molecular weight of 364.38 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(5-methylpyrimidin-2-yl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole is sourced from PubChem (CID 154582415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).