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

C11H15FN4 — CID 121185354

IUPAC5-(5-fluoropyrimidin-2-yl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCN1CC2CN(c3ncc(F)cn3)CC2C1
InChIInChI=1S/C11H15FN4/c1-15-4-8-6-16(7-9(8)5-15)11-13-2-10(12)3-14-11/h2-3,8-9H,4-7H2,1H3
InChIKeyVXABGKHJPYDNIV-UHFFFAOYSA-N
MW222.27 g/mol
LogP0.61
Rot. Bonds1

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

5-(5-fluoropyrimidin-2-yl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 121185354) has the molecular formula C11H15FN4 and a molecular weight of 222.27 g/mol. Its IUPAC name is 5-(5-fluoropyrimidin-2-yl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name5-(5-fluoropyrimidin-2-yl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID121185354
Molecular FormulaC11H15FN4
Molecular Weight222.27 g/mol
Exact Mass222.13
IUPAC Name5-(5-fluoropyrimidin-2-yl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCN1CC2CN(c3ncc(F)cn3)CC2C1
InChIInChI=1S/C11H15FN4/c1-15-4-8-6-16(7-9(8)5-15)11-13-2-10(12)3-14-11/h2-3,8-9H,4-7H2,1H3
InChIKeyVXABGKHJPYDNIV-UHFFFAOYSA-N
XLogP0.61
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(5-fluoropyrimidin-2-yl)-2-methyl-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 5-(5-fluoropyrimidin-2-yl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 5-(5-fluoropyrimidin-2-yl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 121185354) is 5-(5-fluoropyrimidin-2-yl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 5-(5-fluoropyrimidin-2-yl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 5-(5-fluoropyrimidin-2-yl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is CN1CC2CN(c3ncc(F)cn3)CC2C1.
What is the InChIKey of 5-(5-fluoropyrimidin-2-yl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is VXABGKHJPYDNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN4/c1-15-4-8-6-16(7-9(8)5-15)11-13-2-10(12)3-14-11/h2-3,8-9H,4-7H2,1H3.
What are the key properties of 5-(5-fluoropyrimidin-2-yl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
5-(5-fluoropyrimidin-2-yl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 222.27 g/mol, XLogP of 0.61, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoropyrimidin-2-yl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 121185354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).