[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3-phenylfuran-2-yl)methanone

C23H24N4O2 — CID 52917965

IUPAC[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3-phenylfuran-2-yl)methanone
SMILESCc1cc(C)nc(N2CC3CN(C(=O)c4occc4-c4ccccc4)CC3C2)n1
InChIInChI=1S/C23H24N4O2/c1-15-10-16(2)25-23(24-15)27-13-18-11-26(12-19(18)14-27)22(28)21-20(8-9-29-21)17-6-4-3-5-7-17/h3-10,18-19H,11-14H2,1-2H3
InChIKeyQASJCXBBWDFBRS-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.56
Rot. Bonds3

About [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3-phenylfuran-2-yl)methanone

[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3-phenylfuran-2-yl)methanone (PubChem CID 52917965) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3-phenylfuran-2-yl)methanone.

Molecular Properties

Compound Name[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3-phenylfuran-2-yl)methanone
PubChem CID52917965
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3-phenylfuran-2-yl)methanone
SMILESCc1cc(C)nc(N2CC3CN(C(=O)c4occc4-c4ccccc4)CC3C2)n1
InChIInChI=1S/C23H24N4O2/c1-15-10-16(2)25-23(24-15)27-13-18-11-26(12-19(18)14-27)22(28)21-20(8-9-29-21)17-6-4-3-5-7-17/h3-10,18-19H,11-14H2,1-2H3
InChIKeyQASJCXBBWDFBRS-UHFFFAOYSA-N
XLogP3.56
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3-phenylfuran-2-yl)methanone with MolForge

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Related Compounds

2-amino-6-(furan-2-yl)-N-(3-methylbenzyl)pyrimidine-4-carboxamide
CID 11162618
2-amino-6-(furan-2-yl)-N-(2-methylbenzyl)pyrimidine-4-carboxamide
CID 11392671
2-amino-6-(furan-2-yl)-N-(4-methoxybenzyl)pyrimidine-4-carboxamide
CID 45267130
2-Amino-N-benzyl-6-(2-furyl)pyrimidine-4-carboxamide
CID 45267987
2-amino-6-(furan-2-yl)-N-(4-methylbenzyl)pyrimidine-4-carboxamide
CID 45273122
2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-4-methyl-7,8-dihydroquinazolin-5(6H)-one
CID 4873969
[4-[5-[(2-Fluorophenyl)methyl]-6-methyl-2-phenylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 44522168
N-(4-((4-methyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl)amino)phenyl)furan-2-carboxamide
CID 44522249
[3-[2-Amino-6-(5-methylfuran-2-yl)pyrimidin-4-yl]phenyl]-morpholin-4-ylmethanone
CID 127036693
[3-[2-Amino-6-(5-methylfuran-2-yl)pyrimidin-4-yl]phenyl]-pyrrolidin-1-ylmethanone
CID 127036697
1-[4-(Furan-2-yl)-5,6-dimethylpyrimidin-2-yl]-2-(3-pyrrolidin-1-ylpropyl)guanidine
CID 168298623
(4-(2,5-Dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl)(furan-2-yl)methanone
CID 665958

Frequently Asked Questions

What is the IUPAC name of [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3-phenylfuran-2-yl)methanone?
The IUPAC name of [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3-phenylfuran-2-yl)methanone (CID 52917965) is [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3-phenylfuran-2-yl)methanone.
What is the SMILES notation for [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3-phenylfuran-2-yl)methanone?
The canonical SMILES for [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3-phenylfuran-2-yl)methanone is Cc1cc(C)nc(N2CC3CN(C(=O)c4occc4-c4ccccc4)CC3C2)n1.
What is the InChIKey of [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3-phenylfuran-2-yl)methanone?
The InChIKey is QASJCXBBWDFBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-15-10-16(2)25-23(24-15)27-13-18-11-26(12-19(18)14-27)22(28)21-20(8-9-29-21)17-6-4-3-5-7-17/h3-10,18-19H,11-14H2,1-2H3.
What are the key properties of [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3-phenylfuran-2-yl)methanone?
[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3-phenylfuran-2-yl)methanone has a molecular weight of 388.47 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3-phenylfuran-2-yl)methanone is sourced from PubChem (CID 52917965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).