4-[5-(5-fluoropyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C18H21FN6 — CID 163348073

IUPAC4-[5-(5-fluoropyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCc1nc2c(c(N3CC4CN(c5ncncc5F)CC4C3)n1)CCC2
InChIInChI=1S/C18H21FN6/c1-11-22-16-4-2-3-14(16)17(23-11)24-6-12-8-25(9-13(12)7-24)18-15(19)5-20-10-21-18/h5,10,12-13H,2-4,6-9H2,1H3
InChIKeyFAZUGFFLNYJHQA-UHFFFAOYSA-N
MW340.41 g/mol
LogP1.78
Rot. Bonds2

About 4-[5-(5-fluoropyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine

4-[5-(5-fluoropyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 163348073) has the molecular formula C18H21FN6 and a molecular weight of 340.41 g/mol. Its IUPAC name is 4-[5-(5-fluoropyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name4-[5-(5-fluoropyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID163348073
Molecular FormulaC18H21FN6
Molecular Weight340.41 g/mol
Exact Mass340.18
IUPAC Name4-[5-(5-fluoropyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCc1nc2c(c(N3CC4CN(c5ncncc5F)CC4C3)n1)CCC2
InChIInChI=1S/C18H21FN6/c1-11-22-16-4-2-3-14(16)17(23-11)24-6-12-8-25(9-13(12)7-24)18-15(19)5-20-10-21-18/h5,10,12-13H,2-4,6-9H2,1H3
InChIKeyFAZUGFFLNYJHQA-UHFFFAOYSA-N
XLogP1.78
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[5-(5-fluoropyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine with MolForge

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Related Compounds

2-methyl-4-[2-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 126931918
4-[5-(5-methoxypyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 155974534
2-methyl-4-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 126932259
4-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 155974552
[2-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(1-methylpyrazol-4-yl)methanone
CID 155976842
5-(5-fluoropyrimidin-4-yl)-2-(6-methylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 146079596
[2-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(1-methylimidazol-4-yl)methanone
CID 155976843
2-[5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 126934169
4-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 121185306
3-(5-fluoropyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-amine
CID 129216597
2-methyl-4-[5-(1-propan-2-ylimidazol-4-yl)sulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 155976957
2-[[1-(5-fluoropyrimidin-4-yl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126928413

Frequently Asked Questions

What is the IUPAC name of 4-[5-(5-fluoropyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 4-[5-(5-fluoropyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 163348073) is 4-[5-(5-fluoropyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 4-[5-(5-fluoropyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 4-[5-(5-fluoropyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is Cc1nc2c(c(N3CC4CN(c5ncncc5F)CC4C3)n1)CCC2.
What is the InChIKey of 4-[5-(5-fluoropyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is FAZUGFFLNYJHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN6/c1-11-22-16-4-2-3-14(16)17(23-11)24-6-12-8-25(9-13(12)7-24)18-15(19)5-20-10-21-18/h5,10,12-13H,2-4,6-9H2,1H3.
What are the key properties of 4-[5-(5-fluoropyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
4-[5-(5-fluoropyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 340.41 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(5-fluoropyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 163348073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).