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

C12H18N4O — CID 136989428

IUPAC4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(N2CC3CNCC3C2)cc(=O)[nH]1
InChIInChI=1S/C12H18N4O/c1-2-10-14-11(3-12(17)15-10)16-6-8-4-13-5-9(8)7-16/h3,8-9,13H,2,4-7H2,1H3,(H,14,15,17)
InChIKeyPEYCLKZBGCLUOH-UHFFFAOYSA-N
MW234.30 g/mol
LogP-0.01
Rot. Bonds2

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

4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-ethyl-1H-pyrimidin-6-one (PubChem CID 136989428) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-ethyl-1H-pyrimidin-6-one
PubChem CID136989428
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(N2CC3CNCC3C2)cc(=O)[nH]1
InChIInChI=1S/C12H18N4O/c1-2-10-14-11(3-12(17)15-10)16-6-8-4-13-5-9(8)7-16/h3,8-9,13H,2,4-7H2,1H3,(H,14,15,17)
InChIKeyPEYCLKZBGCLUOH-UHFFFAOYSA-N
XLogP-0.01
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

4-[3-(aminomethyl)azetidin-1-yl]-2-ethyl-1H-pyrimidin-6-one
CID 137008600
2-ethyl-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 137008951
2-ethyl-4-(4-ethylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 136989887
2-ethyl-4-[4-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136958171
2-ethyl-4-(3-propylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 137009914
2-ethyl-4-(3-hydroxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136749164
2-ethyl-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136706906
4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-2-ethyl-1H-pyrimidin-6-one
CID 136981222
2-ethyl-4-(4-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 137009116
4-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-ethyl-1H-pyrimidin-6-one
CID 136979055
1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxylic acid
CID 136978431
4-(2,2-dimethylmorpholin-4-yl)-2-ethyl-1H-pyrimidin-6-one
CID 137009203

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-ethyl-1H-pyrimidin-6-one (CID 136989428) is 4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-ethyl-1H-pyrimidin-6-one is CCc1nc(N2CC3CNCC3C2)cc(=O)[nH]1.
What is the InChIKey of 4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is PEYCLKZBGCLUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-2-10-14-11(3-12(17)15-10)16-6-8-4-13-5-9(8)7-16/h3,8-9,13H,2,4-7H2,1H3,(H,14,15,17).
What are the key properties of 4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-ethyl-1H-pyrimidin-6-one?
4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 234.30 g/mol, XLogP of -0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136989428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).