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

C22H29N7 — CID 126932605

IUPAC4-[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
SMILESCc1cc2ncnc(N3CC4CN(c5cc(C(C)(C)C)ncn5)CC4C3)c2n1C
InChIInChI=1S/C22H29N7/c1-14-6-17-20(27(14)5)21(26-12-23-17)29-10-15-8-28(9-16(15)11-29)19-7-18(22(2,3)4)24-13-25-19/h6-7,12-13,15-16H,8-11H2,1-5H3
InChIKeyIEOWPSZUBWUGTJ-UHFFFAOYSA-N
MW391.52 g/mol
LogP2.94
Rot. Bonds2

About 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

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 (PubChem CID 126932605) has the molecular formula C22H29N7 and a molecular weight of 391.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID126932605
Molecular FormulaC22H29N7
Molecular Weight391.52 g/mol
Exact Mass391.25
IUPAC Name4-[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
SMILESCc1cc2ncnc(N3CC4CN(c5cc(C(C)(C)C)ncn5)CC4C3)c2n1C
InChIInChI=1S/C22H29N7/c1-14-6-17-20(27(14)5)21(26-12-23-17)29-10-15-8-28(9-16(15)11-29)19-7-18(22(2,3)4)24-13-25-19/h6-7,12-13,15-16H,8-11H2,1-5H3
InChIKeyIEOWPSZUBWUGTJ-UHFFFAOYSA-N
XLogP2.94
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

[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
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
[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-benzyl-5-(6-tert-butylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126932591
[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-[[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
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
[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
5,6-dimethyl-4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrrolo[3,2-d]pyrimidine
CID 126894108
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc2ncnc(N3CC4CN(c5cc(C(C)(C)C)ncn5)CC4C3)c2n1C.
What is the InChIKey of 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?
The InChIKey is IEOWPSZUBWUGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N7/c1-14-6-17-20(27(14)5)21(26-12-23-17)29-10-15-8-28(9-16(15)11-29)19-7-18(22(2,3)4)24-13-25-19/h6-7,12-13,15-16H,8-11H2,1-5H3.
What are the key properties of 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?
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 has a molecular weight of 391.52 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 126932605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).