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

C11H16N4O — CID 136978604

IUPAC4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1H-pyrimidin-6-one
SMILESCC1C2CNCC2CN1c1cc(=O)[nH]cn1
InChIInChI=1S/C11H16N4O/c1-7-9-4-12-3-8(9)5-15(7)10-2-11(16)14-6-13-10/h2,6-9,12H,3-5H2,1H3,(H,13,14,16)
InChIKeyMPXCRXFYVMBCTE-UHFFFAOYSA-N
MW220.28 g/mol
LogP-0.19
Rot. Bonds1

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

4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1H-pyrimidin-6-one (PubChem CID 136978604) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1H-pyrimidin-6-one
PubChem CID136978604
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1H-pyrimidin-6-one
SMILESCC1C2CNCC2CN1c1cc(=O)[nH]cn1
InChIInChI=1S/C11H16N4O/c1-7-9-4-12-3-8(9)5-15(7)10-2-11(16)14-6-13-10/h2,6-9,12H,3-5H2,1H3,(H,13,14,16)
InChIKeyMPXCRXFYVMBCTE-UHFFFAOYSA-N
XLogP-0.19
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

5-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyrazine-2-carbonitrile
CID 66208860
2-methyl-6-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyridine-4-carboxamide
CID 114770138
1-tert-butyl-3-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyrazin-2-one
CID 66208089
N-ethyl-1-(6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxamide
CID 136978464
4-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136957371
2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1,3,4-thiadiazole
CID 66210022
4-(4-amino-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136978761
6-methyl-4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)thieno[2,3-d]pyrimidine
CID 66209822
5-(4-ethoxy-6-methylpyrimidin-2-yl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 112635034
5-(1,3-dimethyl-4-nitropyrazol-5-yl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66209637
3-methyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 136896343
6-methyl-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyridine-3-carbonitrile
CID 66208279

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1H-pyrimidin-6-one (CID 136978604) is 4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1H-pyrimidin-6-one is CC1C2CNCC2CN1c1cc(=O)[nH]cn1.
What is the InChIKey of 4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1H-pyrimidin-6-one?
The InChIKey is MPXCRXFYVMBCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-7-9-4-12-3-8(9)5-15(7)10-2-11(16)14-6-13-10/h2,6-9,12H,3-5H2,1H3,(H,13,14,16).
What are the key properties of 4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1H-pyrimidin-6-one?
4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1H-pyrimidin-6-one has a molecular weight of 220.28 g/mol, XLogP of -0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136978604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).