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

C24H26N4O — CID 52917162

IUPAC[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-methylnaphthalen-1-yl)methanone
SMILESCc1cc(C)nc(N2CC3CN(C(=O)c4c(C)ccc5ccccc45)CC3C2)n1
InChIInChI=1S/C24H26N4O/c1-15-8-9-18-6-4-5-7-21(18)22(15)23(29)27-11-19-13-28(14-20(19)12-27)24-25-16(2)10-17(3)26-24/h4-10,19-20H,11-14H2,1-3H3
InChIKeyGHWSJSKICINIOU-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.76
Rot. Bonds2

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

[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-methylnaphthalen-1-yl)methanone (PubChem CID 52917162) has the molecular formula C24H26N4O and a molecular weight of 386.50 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-methylnaphthalen-1-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]-(2-methylnaphthalen-1-yl)methanone
PubChem CID52917162
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-methylnaphthalen-1-yl)methanone
SMILESCc1cc(C)nc(N2CC3CN(C(=O)c4c(C)ccc5ccccc45)CC3C2)n1
InChIInChI=1S/C24H26N4O/c1-15-8-9-18-6-4-5-7-21(18)22(15)23(29)27-11-19-13-28(14-20(19)12-27)24-25-16(2)10-17(3)26-24/h4-10,19-20H,11-14H2,1-3H3
InChIKeyGHWSJSKICINIOU-UHFFFAOYSA-N
XLogP3.76
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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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-methylnaphthalen-1-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]-(2-methylnaphthalen-1-yl)methanone (CID 52917162) is [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-methylnaphthalen-1-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]-(2-methylnaphthalen-1-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]-(2-methylnaphthalen-1-yl)methanone is Cc1cc(C)nc(N2CC3CN(C(=O)c4c(C)ccc5ccccc45)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-methylnaphthalen-1-yl)methanone?
The InChIKey is GHWSJSKICINIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-15-8-9-18-6-4-5-7-21(18)22(15)23(29)27-11-19-13-28(14-20(19)12-27)24-25-16(2)10-17(3)26-24/h4-10,19-20H,11-14H2,1-3H3.
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-methylnaphthalen-1-yl)methanone?
[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-methylnaphthalen-1-yl)methanone has a molecular weight of 386.50 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 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-methylnaphthalen-1-yl)methanone is sourced from PubChem (CID 52917162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).