5-(5-fluoropyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

C10H13FN4 — CID 115749971

IUPAC5-(5-fluoropyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESFc1cnc(N2CC3CNCC3C2)nc1
InChIInChI=1S/C10H13FN4/c11-9-3-13-10(14-4-9)15-5-7-1-12-2-8(7)6-15/h3-4,7-8,12H,1-2,5-6H2
InChIKeyRNGGDAUAYUXQHI-UHFFFAOYSA-N
MW208.24 g/mol
LogP0.27
Rot. Bonds1

About 5-(5-fluoropyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

5-(5-fluoropyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 115749971) has the molecular formula C10H13FN4 and a molecular weight of 208.24 g/mol. Its IUPAC name is 5-(5-fluoropyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name5-(5-fluoropyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID115749971
Molecular FormulaC10H13FN4
Molecular Weight208.24 g/mol
Exact Mass208.11
IUPAC Name5-(5-fluoropyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESFc1cnc(N2CC3CNCC3C2)nc1
InChIInChI=1S/C10H13FN4/c11-9-3-13-10(14-4-9)15-5-7-1-12-2-8(7)6-15/h3-4,7-8,12H,1-2,5-6H2
InChIKeyRNGGDAUAYUXQHI-UHFFFAOYSA-N
XLogP0.27
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoropyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of 5-(5-fluoropyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (CID 115749971) is 5-(5-fluoropyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 5-(5-fluoropyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for 5-(5-fluoropyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is Fc1cnc(N2CC3CNCC3C2)nc1.
What is the InChIKey of 5-(5-fluoropyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is RNGGDAUAYUXQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN4/c11-9-3-13-10(14-4-9)15-5-7-1-12-2-8(7)6-15/h3-4,7-8,12H,1-2,5-6H2.
What are the key properties of 5-(5-fluoropyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
5-(5-fluoropyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 208.24 g/mol, XLogP of 0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoropyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 115749971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).