2-[5-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one

C16H19FN6OS — CID 155798537

IUPAC2-[5-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N2CC3CN(c4nc(C5CC5)ns4)CC3C2)[nH]c(=O)c1F
InChIInChI=1S/C16H19FN6OS/c1-8-12(17)14(24)20-15(18-8)22-4-10-6-23(7-11(10)5-22)16-19-13(21-25-16)9-2-3-9/h9-11H,2-7H2,1H3,(H,18,20,24)
InChIKeyNWJZWPFRHIICJR-UHFFFAOYSA-N
MW362.43 g/mol
LogP1.52
Rot. Bonds3

About 2-[5-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one

2-[5-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one (PubChem CID 155798537) has the molecular formula C16H19FN6OS and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-[5-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[5-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one
PubChem CID155798537
Molecular FormulaC16H19FN6OS
Molecular Weight362.43 g/mol
Exact Mass362.13
IUPAC Name2-[5-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N2CC3CN(c4nc(C5CC5)ns4)CC3C2)[nH]c(=O)c1F
InChIInChI=1S/C16H19FN6OS/c1-8-12(17)14(24)20-15(18-8)22-4-10-6-23(7-11(10)5-22)16-19-13(21-25-16)9-2-3-9/h9-11H,2-7H2,1H3,(H,18,20,24)
InChIKeyNWJZWPFRHIICJR-UHFFFAOYSA-N
XLogP1.52
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[5-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[5-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one (CID 155798537) is 2-[5-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[5-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[5-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one is Cc1nc(N2CC3CN(c4nc(C5CC5)ns4)CC3C2)[nH]c(=O)c1F.
What is the InChIKey of 2-[5-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one?
The InChIKey is NWJZWPFRHIICJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN6OS/c1-8-12(17)14(24)20-15(18-8)22-4-10-6-23(7-11(10)5-22)16-19-13(21-25-16)9-2-3-9/h9-11H,2-7H2,1H3,(H,18,20,24).
What are the key properties of 2-[5-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one?
2-[5-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one has a molecular weight of 362.43 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 155798537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).