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

C17H19FN6 — CID 126932688

IUPAC2-(6-cyclopropylpyrimidin-4-yl)-5-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESFc1cnc(N2CC3CN(c4cc(C5CC5)ncn4)CC3C2)nc1
InChIInChI=1S/C17H19FN6/c18-14-4-19-17(20-5-14)24-8-12-6-23(7-13(12)9-24)16-3-15(11-1-2-11)21-10-22-16/h3-5,10-13H,1-2,6-9H2
InChIKeyDHGQJGNWIJTGJX-UHFFFAOYSA-N
MW326.38 g/mol
LogP1.86
Rot. Bonds3

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

2-(6-cyclopropylpyrimidin-4-yl)-5-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 126932688) has the molecular formula C17H19FN6 and a molecular weight of 326.38 g/mol. Its IUPAC name is 2-(6-cyclopropylpyrimidin-4-yl)-5-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name2-(6-cyclopropylpyrimidin-4-yl)-5-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID126932688
Molecular FormulaC17H19FN6
Molecular Weight326.38 g/mol
Exact Mass326.17
IUPAC Name2-(6-cyclopropylpyrimidin-4-yl)-5-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESFc1cnc(N2CC3CN(c4cc(C5CC5)ncn4)CC3C2)nc1
InChIInChI=1S/C17H19FN6/c18-14-4-19-17(20-5-14)24-8-12-6-23(7-13(12)9-24)16-3-15(11-1-2-11)21-10-22-16/h3-5,10-13H,1-2,6-9H2
InChIKeyDHGQJGNWIJTGJX-UHFFFAOYSA-N
XLogP1.86
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-cyclopropylpyrimidin-4-yl)-5-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 2-(6-cyclopropylpyrimidin-4-yl)-5-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 126932688) is 2-(6-cyclopropylpyrimidin-4-yl)-5-(5-fluoropyrimidin-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-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 2-(6-cyclopropylpyrimidin-4-yl)-5-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is Fc1cnc(N2CC3CN(c4cc(C5CC5)ncn4)CC3C2)nc1.
What is the InChIKey of 2-(6-cyclopropylpyrimidin-4-yl)-5-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is DHGQJGNWIJTGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN6/c18-14-4-19-17(20-5-14)24-8-12-6-23(7-13(12)9-24)16-3-15(11-1-2-11)21-10-22-16/h3-5,10-13H,1-2,6-9H2.
What are the key properties of 2-(6-cyclopropylpyrimidin-4-yl)-5-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
2-(6-cyclopropylpyrimidin-4-yl)-5-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 326.38 g/mol, XLogP of 1.86, 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-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 126932688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).