5-(6-tert-butylpyrimidin-4-yl)-2-[2-(methoxymethyl)pyrimidin-4-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole

C20H28N6O — CID 126932561

IUPAC5-(6-tert-butylpyrimidin-4-yl)-2-[2-(methoxymethyl)pyrimidin-4-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCOCc1nccc(N2CC3CN(c4cc(C(C)(C)C)ncn4)CC3C2)n1
InChIInChI=1S/C20H28N6O/c1-20(2,3)16-7-19(23-13-22-16)26-10-14-8-25(9-15(14)11-26)18-5-6-21-17(24-18)12-27-4/h5-7,13-15H,8-12H2,1-4H3
InChIKeyJMGQLMJTFCZOPI-UHFFFAOYSA-N
MW368.49 g/mol
LogP2.28
Rot. Bonds4

About 5-(6-tert-butylpyrimidin-4-yl)-2-[2-(methoxymethyl)pyrimidin-4-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole

5-(6-tert-butylpyrimidin-4-yl)-2-[2-(methoxymethyl)pyrimidin-4-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 126932561) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is 5-(6-tert-butylpyrimidin-4-yl)-2-[2-(methoxymethyl)pyrimidin-4-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name5-(6-tert-butylpyrimidin-4-yl)-2-[2-(methoxymethyl)pyrimidin-4-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID126932561
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC Name5-(6-tert-butylpyrimidin-4-yl)-2-[2-(methoxymethyl)pyrimidin-4-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCOCc1nccc(N2CC3CN(c4cc(C(C)(C)C)ncn4)CC3C2)n1
InChIInChI=1S/C20H28N6O/c1-20(2,3)16-7-19(23-13-22-16)26-10-14-8-25(9-15(14)11-26)18-5-6-21-17(24-18)12-27-4/h5-7,13-15H,8-12H2,1-4H3
InChIKeyJMGQLMJTFCZOPI-UHFFFAOYSA-N
XLogP2.28
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-(6-tert-butylpyrimidin-4-yl)-2-[2-(methoxymethyl)pyrimidin-4-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole with MolForge

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Related Compounds

2-benzyl-5-(6-tert-butylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126932591
4-[2-(6-tert-butylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5,6-dimethylpyrrolo[3,2-d]pyrimidine
CID 126932605
2-[[5-(6-tert-butylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-methyl-1,3,4-thiadiazole
CID 126932481
5-(6-tert-butylpyrimidin-4-yl)-2-[(3-methyltriazol-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126932492
5-(6-tert-butylpyrimidin-4-yl)-2-[(1-methyltriazol-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126932493
[2-(6-tert-butylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(1,3-thiazol-4-yl)methanone
CID 126932335
2-(methoxymethyl)-4-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine
CID 10869888
[2-(6-tert-butylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(1,5-dimethylpyrazol-3-yl)methanone
CID 126932330
6-[[5-(6-tert-butylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-methylpyrimidin-4-one
CID 126932448
4-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-(methoxymethyl)pyrimidine
CID 136568988
[2-(6-tert-butylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 126932287
[2-(6-tert-butylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 126932312

Frequently Asked Questions

What is the IUPAC name of 5-(6-tert-butylpyrimidin-4-yl)-2-[2-(methoxymethyl)pyrimidin-4-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 5-(6-tert-butylpyrimidin-4-yl)-2-[2-(methoxymethyl)pyrimidin-4-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 126932561) is 5-(6-tert-butylpyrimidin-4-yl)-2-[2-(methoxymethyl)pyrimidin-4-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 5-(6-tert-butylpyrimidin-4-yl)-2-[2-(methoxymethyl)pyrimidin-4-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 5-(6-tert-butylpyrimidin-4-yl)-2-[2-(methoxymethyl)pyrimidin-4-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is COCc1nccc(N2CC3CN(c4cc(C(C)(C)C)ncn4)CC3C2)n1.
What is the InChIKey of 5-(6-tert-butylpyrimidin-4-yl)-2-[2-(methoxymethyl)pyrimidin-4-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is JMGQLMJTFCZOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O/c1-20(2,3)16-7-19(23-13-22-16)26-10-14-8-25(9-15(14)11-26)18-5-6-21-17(24-18)12-27-4/h5-7,13-15H,8-12H2,1-4H3.
What are the key properties of 5-(6-tert-butylpyrimidin-4-yl)-2-[2-(methoxymethyl)pyrimidin-4-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
5-(6-tert-butylpyrimidin-4-yl)-2-[2-(methoxymethyl)pyrimidin-4-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 368.49 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-tert-butylpyrimidin-4-yl)-2-[2-(methoxymethyl)pyrimidin-4-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 126932561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).