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

C16H17F3N6 — CID 154582459

IUPAC2-methyl-5-pyrimidin-2-yl-1-[4-(trifluoromethyl)pyrimidin-2-yl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
SMILESCC1CC2CN(c3ncccn3)CC2N1c1nccc(C(F)(F)F)n1
InChIInChI=1S/C16H17F3N6/c1-10-7-11-8-24(14-20-4-2-5-21-14)9-12(11)25(10)15-22-6-3-13(23-15)16(17,18)19/h2-6,10-12H,7-9H2,1H3
InChIKeyNYYGMAKKCNVIOZ-UHFFFAOYSA-N
MW350.35 g/mol
LogP2.39
Rot. Bonds2

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

2-methyl-5-pyrimidin-2-yl-1-[4-(trifluoromethyl)pyrimidin-2-yl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole (PubChem CID 154582459) has the molecular formula C16H17F3N6 and a molecular weight of 350.35 g/mol. Its IUPAC name is 2-methyl-5-pyrimidin-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-pyrimidin-2-yl-1-[4-(trifluoromethyl)pyrimidin-2-yl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
PubChem CID154582459
Molecular FormulaC16H17F3N6
Molecular Weight350.35 g/mol
Exact Mass350.15
IUPAC Name2-methyl-5-pyrimidin-2-yl-1-[4-(trifluoromethyl)pyrimidin-2-yl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
SMILESCC1CC2CN(c3ncccn3)CC2N1c1nccc(C(F)(F)F)n1
InChIInChI=1S/C16H17F3N6/c1-10-7-11-8-24(14-20-4-2-5-21-14)9-12(11)25(10)15-22-6-3-13(23-15)16(17,18)19/h2-6,10-12H,7-9H2,1H3
InChIKeyNYYGMAKKCNVIOZ-UHFFFAOYSA-N
XLogP2.39
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-pyrimidin-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-pyrimidin-2-yl-1-[4-(trifluoromethyl)pyrimidin-2-yl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole (CID 154582459) is 2-methyl-5-pyrimidin-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-pyrimidin-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-pyrimidin-2-yl-1-[4-(trifluoromethyl)pyrimidin-2-yl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole is CC1CC2CN(c3ncccn3)CC2N1c1nccc(C(F)(F)F)n1.
What is the InChIKey of 2-methyl-5-pyrimidin-2-yl-1-[4-(trifluoromethyl)pyrimidin-2-yl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole?
The InChIKey is NYYGMAKKCNVIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N6/c1-10-7-11-8-24(14-20-4-2-5-21-14)9-12(11)25(10)15-22-6-3-13(23-15)16(17,18)19/h2-6,10-12H,7-9H2,1H3.
What are the key properties of 2-methyl-5-pyrimidin-2-yl-1-[4-(trifluoromethyl)pyrimidin-2-yl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole?
2-methyl-5-pyrimidin-2-yl-1-[4-(trifluoromethyl)pyrimidin-2-yl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole has a molecular weight of 350.35 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-pyrimidin-2-yl-1-[4-(trifluoromethyl)pyrimidin-2-yl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole is sourced from PubChem (CID 154582459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).