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

C18H25FN4O2 — CID 155798253

IUPAC2-[5-(cyclopentanecarbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-4-ethyl-5-fluoro-1H-pyrimidin-6-one
SMILESCCc1nc(N2CC3CN(C(=O)C4CCCC4)CC3C2)[nH]c(=O)c1F
InChIInChI=1S/C18H25FN4O2/c1-2-14-15(19)16(24)21-18(20-14)23-9-12-7-22(8-13(12)10-23)17(25)11-5-3-4-6-11/h11-13H,2-10H2,1H3,(H,20,21,24)
InChIKeyUAHJCHWAHRYWQF-UHFFFAOYSA-N
MW348.42 g/mol
LogP1.56
Rot. Bonds3

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

2-[5-(cyclopentanecarbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-4-ethyl-5-fluoro-1H-pyrimidin-6-one (PubChem CID 155798253) has the molecular formula C18H25FN4O2 and a molecular weight of 348.42 g/mol. Its IUPAC name is 2-[5-(cyclopentanecarbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-4-ethyl-5-fluoro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[5-(cyclopentanecarbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-4-ethyl-5-fluoro-1H-pyrimidin-6-one
PubChem CID155798253
Molecular FormulaC18H25FN4O2
Molecular Weight348.42 g/mol
Exact Mass348.20
IUPAC Name2-[5-(cyclopentanecarbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-4-ethyl-5-fluoro-1H-pyrimidin-6-one
SMILESCCc1nc(N2CC3CN(C(=O)C4CCCC4)CC3C2)[nH]c(=O)c1F
InChIInChI=1S/C18H25FN4O2/c1-2-14-15(19)16(24)21-18(20-14)23-9-12-7-22(8-13(12)10-23)17(25)11-5-3-4-6-11/h11-13H,2-10H2,1H3,(H,20,21,24)
InChIKeyUAHJCHWAHRYWQF-UHFFFAOYSA-N
XLogP1.56
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

(6aS,9aR)-8-(cyclohexanecarbonyl)-2-methyl-5,6,6a,7,9,9a-hexahydro-3H-pyrrolo[3,4-h]quinazolin-4-one
CID 136680914
cyclohexyl-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 121185224
5-fluoro-2-[4-(oxane-4-carbonyl)piperazin-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one
CID 154830598
5-fluoro-2-[4-(1-methylpiperidine-3-carbonyl)piperazin-1-yl]-4-phenyl-1H-pyrimidin-6-one
CID 154830682
cyclopentyl-[2-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
CID 121185694
[1-(6-ethyl-5-fluoropyrimidin-4-yl)azetidin-3-yl]-pyrrolidin-1-ylmethanone
CID 165434880
cyclobutyl-[2-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
CID 126858119
[(3aR,7aR)-5-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-cyclopentylmethanone
CID 95042945
[(3aR,7aR)-5-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-cyclobutylmethanone
CID 97402596
cyclopentyl-(3-ethyl-6-methylazepan-1-yl)methanone
CID 70909624
cyclopentyl-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
CID 133332977
4-(cyclohexanecarbonyl)piperazine-2,6-dione
CID 13063813

Frequently Asked Questions

What is the IUPAC name of 2-[5-(cyclopentanecarbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-4-ethyl-5-fluoro-1H-pyrimidin-6-one?
The IUPAC name of 2-[5-(cyclopentanecarbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-4-ethyl-5-fluoro-1H-pyrimidin-6-one (CID 155798253) is 2-[5-(cyclopentanecarbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-4-ethyl-5-fluoro-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[5-(cyclopentanecarbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-4-ethyl-5-fluoro-1H-pyrimidin-6-one?
The canonical SMILES for 2-[5-(cyclopentanecarbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-4-ethyl-5-fluoro-1H-pyrimidin-6-one is CCc1nc(N2CC3CN(C(=O)C4CCCC4)CC3C2)[nH]c(=O)c1F.
What is the InChIKey of 2-[5-(cyclopentanecarbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-4-ethyl-5-fluoro-1H-pyrimidin-6-one?
The InChIKey is UAHJCHWAHRYWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4O2/c1-2-14-15(19)16(24)21-18(20-14)23-9-12-7-22(8-13(12)10-23)17(25)11-5-3-4-6-11/h11-13H,2-10H2,1H3,(H,20,21,24).
What are the key properties of 2-[5-(cyclopentanecarbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-4-ethyl-5-fluoro-1H-pyrimidin-6-one?
2-[5-(cyclopentanecarbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-4-ethyl-5-fluoro-1H-pyrimidin-6-one has a molecular weight of 348.42 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(cyclopentanecarbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-4-ethyl-5-fluoro-1H-pyrimidin-6-one is sourced from PubChem (CID 155798253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).