2,5-dimethyl-6-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[3,4-d]pyrimidin-4-one

C20H26N8O — CID 126932264

IUPAC2,5-dimethyl-6-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[3,4-d]pyrimidin-4-one
SMILESCC(C)c1cc(N2CC3CN(c4nc5nn(C)cc5c(=O)n4C)CC3C2)ncn1
InChIInChI=1S/C20H26N8O/c1-12(2)16-5-17(22-11-21-16)27-6-13-8-28(9-14(13)7-27)20-23-18-15(10-25(3)24-18)19(29)26(20)4/h5,10-14H,6-9H2,1-4H3
InChIKeyQPZLYQZLDNSGQE-UHFFFAOYSA-N
MW394.48 g/mol
LogP1.15
Rot. Bonds3

About 2,5-dimethyl-6-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[3,4-d]pyrimidin-4-one

2,5-dimethyl-6-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[3,4-d]pyrimidin-4-one (PubChem CID 126932264) has the molecular formula C20H26N8O and a molecular weight of 394.48 g/mol. Its IUPAC name is 2,5-dimethyl-6-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2,5-dimethyl-6-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[3,4-d]pyrimidin-4-one
PubChem CID126932264
Molecular FormulaC20H26N8O
Molecular Weight394.48 g/mol
Exact Mass394.22
IUPAC Name2,5-dimethyl-6-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[3,4-d]pyrimidin-4-one
SMILESCC(C)c1cc(N2CC3CN(c4nc5nn(C)cc5c(=O)n4C)CC3C2)ncn1
InChIInChI=1S/C20H26N8O/c1-12(2)16-5-17(22-11-21-16)27-6-13-8-28(9-14(13)7-27)20-23-18-15(10-25(3)24-18)19(29)26(20)4/h5,10-14H,6-9H2,1-4H3
InChIKeyQPZLYQZLDNSGQE-UHFFFAOYSA-N
XLogP1.15
TPSA84.97 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2,5-dimethyl-6-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[3,4-d]pyrimidin-4-one with MolForge

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Related Compounds

3-methyl-2-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrido[3,4-d]pyrimidin-4-one
CID 126932274
1-methyl-6-[[5-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]pyrimidin-2-one
CID 126932111
2-[2-(azepan-1-yl)ethyl]-5-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126932087
2,5-dimethyl-6-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidin-4-one
CID 126895258
1-methyl-3-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyridin-2-one
CID 126931947
2-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1,3-oxazole
CID 126932211
4-methoxy-1-methyl-5-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyridin-2-one
CID 126932008
1-(cyclopropylmethyl)-3-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazin-2-one
CID 126932276
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
N-cyclopentyl-2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
CID 126931972
2-[(3-cyclopropylimidazol-4-yl)methyl]-5-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126932181
5-(6-propan-2-ylpyrimidin-4-yl)-2-(pyridazin-3-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126932136

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-6-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 2,5-dimethyl-6-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[3,4-d]pyrimidin-4-one (CID 126932264) is 2,5-dimethyl-6-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2,5-dimethyl-6-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2,5-dimethyl-6-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[3,4-d]pyrimidin-4-one is CC(C)c1cc(N2CC3CN(c4nc5nn(C)cc5c(=O)n4C)CC3C2)ncn1.
What is the InChIKey of 2,5-dimethyl-6-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[3,4-d]pyrimidin-4-one?
The InChIKey is QPZLYQZLDNSGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N8O/c1-12(2)16-5-17(22-11-21-16)27-6-13-8-28(9-14(13)7-27)20-23-18-15(10-25(3)24-18)19(29)26(20)4/h5,10-14H,6-9H2,1-4H3.
What are the key properties of 2,5-dimethyl-6-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[3,4-d]pyrimidin-4-one?
2,5-dimethyl-6-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[3,4-d]pyrimidin-4-one has a molecular weight of 394.48 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-6-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 126932264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).