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

C17H21FN6 — CID 126932235

IUPAC5-(5-fluoropyrimidin-4-yl)-2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCC(C)c1cc(N2CC3CN(c4ncncc4F)CC3C2)ncn1
InChIInChI=1S/C17H21FN6/c1-11(2)15-3-16(21-10-20-15)23-5-12-7-24(8-13(12)6-23)17-14(18)4-19-9-22-17/h3-4,9-13H,5-8H2,1-2H3
InChIKeyIKPZBPDCFSQKCS-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.10
Rot. Bonds3

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

5-(5-fluoropyrimidin-4-yl)-2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 126932235) has the molecular formula C17H21FN6 and a molecular weight of 328.39 g/mol. Its IUPAC name is 5-(5-fluoropyrimidin-4-yl)-2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name5-(5-fluoropyrimidin-4-yl)-2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID126932235
Molecular FormulaC17H21FN6
Molecular Weight328.39 g/mol
Exact Mass328.18
IUPAC Name5-(5-fluoropyrimidin-4-yl)-2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCC(C)c1cc(N2CC3CN(c4ncncc4F)CC3C2)ncn1
InChIInChI=1S/C17H21FN6/c1-11(2)15-3-16(21-10-20-15)23-5-12-7-24(8-13(12)6-23)17-14(18)4-19-9-22-17/h3-4,9-13H,5-8H2,1-2H3
InChIKeyIKPZBPDCFSQKCS-UHFFFAOYSA-N
XLogP2.10
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(5-fluoropyrimidin-4-yl)-2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoropyrimidin-4-yl)-2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 5-(5-fluoropyrimidin-4-yl)-2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 126932235) is 5-(5-fluoropyrimidin-4-yl)-2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 5-(5-fluoropyrimidin-4-yl)-2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 5-(5-fluoropyrimidin-4-yl)-2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is CC(C)c1cc(N2CC3CN(c4ncncc4F)CC3C2)ncn1.
What is the InChIKey of 5-(5-fluoropyrimidin-4-yl)-2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is IKPZBPDCFSQKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN6/c1-11(2)15-3-16(21-10-20-15)23-5-12-7-24(8-13(12)6-23)17-14(18)4-19-9-22-17/h3-4,9-13H,5-8H2,1-2H3.
What are the key properties of 5-(5-fluoropyrimidin-4-yl)-2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
5-(5-fluoropyrimidin-4-yl)-2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 328.39 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoropyrimidin-4-yl)-2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 126932235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).