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

C19H21FN8 — CID 126933119

IUPAC2-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-5-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCc1cc(C)n(-c2cc(N3CC4CN(c5ncc(F)cn5)CC4C3)ncn2)n1
InChIInChI=1S/C19H21FN8/c1-12-3-13(2)28(25-12)18-4-17(23-11-24-18)26-7-14-9-27(10-15(14)8-26)19-21-5-16(20)6-22-19/h3-6,11,14-15H,7-10H2,1-2H3
InChIKeyJMBTXCYXAHIVDF-UHFFFAOYSA-N
MW380.43 g/mol
LogP1.78
Rot. Bonds3

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

2-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-5-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 126933119) has the molecular formula C19H21FN8 and a molecular weight of 380.43 g/mol. Its IUPAC name is 2-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-5-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name2-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-5-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID126933119
Molecular FormulaC19H21FN8
Molecular Weight380.43 g/mol
Exact Mass380.19
IUPAC Name2-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-5-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCc1cc(C)n(-c2cc(N3CC4CN(c5ncc(F)cn5)CC4C3)ncn2)n1
InChIInChI=1S/C19H21FN8/c1-12-3-13(2)28(25-12)18-4-17(23-11-24-18)26-7-14-9-27(10-15(14)8-26)19-21-5-16(20)6-22-19/h3-6,11,14-15H,7-10H2,1-2H3
InChIKeyJMBTXCYXAHIVDF-UHFFFAOYSA-N
XLogP1.78
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-5-(5-fluoropyrimidin-2-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 2-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-5-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 2-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-5-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 126933119) is 2-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-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-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-5-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 2-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-5-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is Cc1cc(C)n(-c2cc(N3CC4CN(c5ncc(F)cn5)CC4C3)ncn2)n1.
What is the InChIKey of 2-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-5-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is JMBTXCYXAHIVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN8/c1-12-3-13(2)28(25-12)18-4-17(23-11-24-18)26-7-14-9-27(10-15(14)8-26)19-21-5-16(20)6-22-19/h3-6,11,14-15H,7-10H2,1-2H3.
What are the key properties of 2-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-5-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
2-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-5-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 380.43 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-5-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 126933119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).