6-[2-(6-tert-butylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-2-methylpyridazin-3-one

C20H26N6O2 — CID 126932283

IUPAC6-[2-(6-tert-butylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-2-methylpyridazin-3-one
SMILESCn1nc(C(=O)N2CC3CN(c4cc(C(C)(C)C)ncn4)CC3C2)ccc1=O
InChIInChI=1S/C20H26N6O2/c1-20(2,3)16-7-17(22-12-21-16)25-8-13-10-26(11-14(13)9-25)19(28)15-5-6-18(27)24(4)23-15/h5-7,12-14H,8-11H2,1-4H3
InChIKeyWSHBLLWKUYLAHW-UHFFFAOYSA-N
MW382.47 g/mol
LogP1.08
Rot. Bonds2

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

6-[2-(6-tert-butylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-2-methylpyridazin-3-one (PubChem CID 126932283) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 6-[2-(6-tert-butylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-[2-(6-tert-butylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-2-methylpyridazin-3-one
PubChem CID126932283
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name6-[2-(6-tert-butylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-2-methylpyridazin-3-one
SMILESCn1nc(C(=O)N2CC3CN(c4cc(C(C)(C)C)ncn4)CC3C2)ccc1=O
InChIInChI=1S/C20H26N6O2/c1-20(2,3)16-7-17(22-12-21-16)25-8-13-10-26(11-14(13)9-25)19(28)15-5-6-18(27)24(4)23-15/h5-7,12-14H,8-11H2,1-4H3
InChIKeyWSHBLLWKUYLAHW-UHFFFAOYSA-N
XLogP1.08
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

6-[2-(6-tert-butylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-2-propan-2-ylpyridazin-3-one
CID 126932338
[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
[2-(6-tert-butylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2,5-dimethylpyrazol-3-yl)methanone
CID 126932331
[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-(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
[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
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
2-(6-tert-butylpyrimidin-4-yl)-N-(oxan-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
CID 126932309
6-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carbonyl]-2-methylpyridazin-3-one
CID 90516980
6-[2-(6-tert-butylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1,5-dimethylpyrazolo[5,4-d]pyrimidin-4-one
CID 126932599
6-(3-ethylsulfonylazetidine-1-carbonyl)-2-methylpyridazin-3-one
CID 121164410
2-benzyl-5-(6-tert-butylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126932591

Frequently Asked Questions

What is the IUPAC name of 6-[2-(6-tert-butylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-2-methylpyridazin-3-one?
The IUPAC name of 6-[2-(6-tert-butylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-2-methylpyridazin-3-one (CID 126932283) is 6-[2-(6-tert-butylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-2-methylpyridazin-3-one.
What is the SMILES notation for 6-[2-(6-tert-butylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-2-methylpyridazin-3-one?
The canonical SMILES for 6-[2-(6-tert-butylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-2-methylpyridazin-3-one is Cn1nc(C(=O)N2CC3CN(c4cc(C(C)(C)C)ncn4)CC3C2)ccc1=O.
What is the InChIKey of 6-[2-(6-tert-butylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-2-methylpyridazin-3-one?
The InChIKey is WSHBLLWKUYLAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-20(2,3)16-7-17(22-12-21-16)25-8-13-10-26(11-14(13)9-25)19(28)15-5-6-18(27)24(4)23-15/h5-7,12-14H,8-11H2,1-4H3.
What are the key properties of 6-[2-(6-tert-butylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-2-methylpyridazin-3-one?
6-[2-(6-tert-butylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-2-methylpyridazin-3-one has a molecular weight of 382.47 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(6-tert-butylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-2-methylpyridazin-3-one is sourced from PubChem (CID 126932283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).