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

C24H25N5O — CID 52917392

IUPAC[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-pyridin-2-ylphenyl)methanone
SMILESCc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4-c4ccccn4)CC3C2)n1
InChIInChI=1S/C24H25N5O/c1-16-11-17(2)27-24(26-16)29-14-18-12-28(13-19(18)15-29)23(30)21-8-4-3-7-20(21)22-9-5-6-10-25-22/h3-11,18-19H,12-15H2,1-2H3
InChIKeyIBTOYHUCRVSPJX-UHFFFAOYSA-N
MW399.50 g/mol
LogP3.36
Rot. Bonds3

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

[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-pyridin-2-ylphenyl)methanone (PubChem CID 52917392) has the molecular formula C24H25N5O and a molecular weight of 399.50 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]-(2-pyridin-2-ylphenyl)methanone.

Molecular Properties

Compound Name[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-pyridin-2-ylphenyl)methanone
PubChem CID52917392
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC Name[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-pyridin-2-ylphenyl)methanone
SMILESCc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4-c4ccccn4)CC3C2)n1
InChIInChI=1S/C24H25N5O/c1-16-11-17(2)27-24(26-16)29-14-18-12-28(13-19(18)15-29)23(30)21-8-4-3-7-20(21)22-9-5-6-10-25-22/h3-11,18-19H,12-15H2,1-2H3
InChIKeyIBTOYHUCRVSPJX-UHFFFAOYSA-N
XLogP3.36
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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]-(2-pyridin-2-ylphenyl)methanone?
The IUPAC name of [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-pyridin-2-ylphenyl)methanone (CID 52917392) is [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-pyridin-2-ylphenyl)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]-(2-pyridin-2-ylphenyl)methanone?
The canonical SMILES for [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-pyridin-2-ylphenyl)methanone is Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4-c4ccccn4)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]-(2-pyridin-2-ylphenyl)methanone?
The InChIKey is IBTOYHUCRVSPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O/c1-16-11-17(2)27-24(26-16)29-14-18-12-28(13-19(18)15-29)23(30)21-8-4-3-7-20(21)22-9-5-6-10-25-22/h3-11,18-19H,12-15H2,1-2H3.
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]-(2-pyridin-2-ylphenyl)methanone?
[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-pyridin-2-ylphenyl)methanone has a molecular weight of 399.50 g/mol, XLogP of 3.36, 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]-(2-pyridin-2-ylphenyl)methanone is sourced from PubChem (CID 52917392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).