[5-(4,6-dimethylpyrimidin-2-yl)-1,3,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-[2-(furan-2-yl)phenyl]methanone

C23H22N4O2 — CID 67116550

IUPAC[5-(4,6-dimethylpyrimidin-2-yl)-1,3,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-[2-(furan-2-yl)phenyl]methanone
SMILESCc1cc(C)nc(N2C=C3CN(C(=O)c4ccccc4-c4ccco4)CC3C2)n1
InChIInChI=1S/C23H22N4O2/c1-15-10-16(2)25-23(24-15)27-13-17-11-26(12-18(17)14-27)22(28)20-7-4-3-6-19(20)21-8-5-9-29-21/h3-10,13,18H,11-12,14H2,1-2H3
InChIKeyXCDWIQSYDBFRCQ-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.83
Rot. Bonds3

About [5-(4,6-dimethylpyrimidin-2-yl)-1,3,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-[2-(furan-2-yl)phenyl]methanone

[5-(4,6-dimethylpyrimidin-2-yl)-1,3,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-[2-(furan-2-yl)phenyl]methanone (PubChem CID 67116550) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is [5-(4,6-dimethylpyrimidin-2-yl)-1,3,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-[2-(furan-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[5-(4,6-dimethylpyrimidin-2-yl)-1,3,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-[2-(furan-2-yl)phenyl]methanone
PubChem CID67116550
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name[5-(4,6-dimethylpyrimidin-2-yl)-1,3,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-[2-(furan-2-yl)phenyl]methanone
SMILESCc1cc(C)nc(N2C=C3CN(C(=O)c4ccccc4-c4ccco4)CC3C2)n1
InChIInChI=1S/C23H22N4O2/c1-15-10-16(2)25-23(24-15)27-13-17-11-26(12-18(17)14-27)22(28)20-7-4-3-6-19(20)21-8-5-9-29-21/h3-10,13,18H,11-12,14H2,1-2H3
InChIKeyXCDWIQSYDBFRCQ-UHFFFAOYSA-N
XLogP3.83
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

cinnolin-4-yl-[5-(4,6-dimethylpyrimidin-2-yl)-1,3,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]methanone
CID 67116974
[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-phenylphenyl)methanone
CID 67116901
ethyl 1-[2-(furan-2-yl)benzoyl]piperidine-4-carboxylate
CID 168527063
[2-(furan-2-yl)phenyl]-(2-methylpiperidin-1-yl)methanone
CID 168525088
[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(4-methylphenyl)methanone
CID 90508931
(3,5-dimethylphenyl)-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
CID 90508932
[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 3433092
[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-fluorophenyl)methanone
CID 52917242
(2-ethylsulfanylphenyl)-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
CID 90509027
[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(2-methyl-3-nitrophenyl)methanone
CID 90508966
[8-(4,6-dimethylpyrimidin-2-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-(2-pyrazol-1-ylphenyl)methanone
CID 121371991
[6-(furan-2-yl)-2-methyl-3-pyridinyl]-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 95296331

Frequently Asked Questions

What is the IUPAC name of [5-(4,6-dimethylpyrimidin-2-yl)-1,3,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-[2-(furan-2-yl)phenyl]methanone?
The IUPAC name of [5-(4,6-dimethylpyrimidin-2-yl)-1,3,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-[2-(furan-2-yl)phenyl]methanone (CID 67116550) is [5-(4,6-dimethylpyrimidin-2-yl)-1,3,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-[2-(furan-2-yl)phenyl]methanone.
What is the SMILES notation for [5-(4,6-dimethylpyrimidin-2-yl)-1,3,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-[2-(furan-2-yl)phenyl]methanone?
The canonical SMILES for [5-(4,6-dimethylpyrimidin-2-yl)-1,3,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-[2-(furan-2-yl)phenyl]methanone is Cc1cc(C)nc(N2C=C3CN(C(=O)c4ccccc4-c4ccco4)CC3C2)n1.
What is the InChIKey of [5-(4,6-dimethylpyrimidin-2-yl)-1,3,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-[2-(furan-2-yl)phenyl]methanone?
The InChIKey is XCDWIQSYDBFRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-15-10-16(2)25-23(24-15)27-13-17-11-26(12-18(17)14-27)22(28)20-7-4-3-6-19(20)21-8-5-9-29-21/h3-10,13,18H,11-12,14H2,1-2H3.
What are the key properties of [5-(4,6-dimethylpyrimidin-2-yl)-1,3,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-[2-(furan-2-yl)phenyl]methanone?
[5-(4,6-dimethylpyrimidin-2-yl)-1,3,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-[2-(furan-2-yl)phenyl]methanone has a molecular weight of 386.46 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4,6-dimethylpyrimidin-2-yl)-1,3,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-[2-(furan-2-yl)phenyl]methanone is sourced from PubChem (CID 67116550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).