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

C18H19F3N6 — CID 126932690

IUPAC2-(6-cyclopropylpyrimidin-4-yl)-5-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESFC(F)(F)c1ccnc(N2CC3CN(c4cc(C5CC5)ncn4)CC3C2)n1
InChIInChI=1S/C18H19F3N6/c19-18(20,21)15-3-4-22-17(25-15)27-8-12-6-26(7-13(12)9-27)16-5-14(11-1-2-11)23-10-24-16/h3-5,10-13H,1-2,6-9H2
InChIKeyZHLIEHGODGIYMS-UHFFFAOYSA-N
MW376.39 g/mol
LogP2.74
Rot. Bonds3

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

2-(6-cyclopropylpyrimidin-4-yl)-5-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 126932690) has the molecular formula C18H19F3N6 and a molecular weight of 376.39 g/mol. Its IUPAC name is 2-(6-cyclopropylpyrimidin-4-yl)-5-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name2-(6-cyclopropylpyrimidin-4-yl)-5-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID126932690
Molecular FormulaC18H19F3N6
Molecular Weight376.39 g/mol
Exact Mass376.16
IUPAC Name2-(6-cyclopropylpyrimidin-4-yl)-5-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESFC(F)(F)c1ccnc(N2CC3CN(c4cc(C5CC5)ncn4)CC3C2)n1
InChIInChI=1S/C18H19F3N6/c19-18(20,21)15-3-4-22-17(25-15)27-8-12-6-26(7-13(12)9-27)16-5-14(11-1-2-11)23-10-24-16/h3-5,10-13H,1-2,6-9H2
InChIKeyZHLIEHGODGIYMS-UHFFFAOYSA-N
XLogP2.74
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(6-cyclopropylpyrimidin-4-yl)-5-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 2-(6-cyclopropylpyrimidin-4-yl)-5-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 126932690) is 2-(6-cyclopropylpyrimidin-4-yl)-5-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 2-(6-cyclopropylpyrimidin-4-yl)-5-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 2-(6-cyclopropylpyrimidin-4-yl)-5-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is FC(F)(F)c1ccnc(N2CC3CN(c4cc(C5CC5)ncn4)CC3C2)n1.
What is the InChIKey of 2-(6-cyclopropylpyrimidin-4-yl)-5-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is ZHLIEHGODGIYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N6/c19-18(20,21)15-3-4-22-17(25-15)27-8-12-6-26(7-13(12)9-27)16-5-14(11-1-2-11)23-10-24-16/h3-5,10-13H,1-2,6-9H2.
What are the key properties of 2-(6-cyclopropylpyrimidin-4-yl)-5-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
2-(6-cyclopropylpyrimidin-4-yl)-5-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 376.39 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-cyclopropylpyrimidin-4-yl)-5-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 126932690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).