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

C18H22N8O — CID 126934193

IUPAC1,5-dimethyl-6-[2-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1cncnc1N1CC2CN(c3nc4c(cnn4C)c(=O)n3C)CC2C1
InChIInChI=1S/C18H22N8O/c1-11-4-19-10-20-15(11)25-6-12-8-26(9-13(12)7-25)18-22-16-14(5-21-24(16)3)17(27)23(18)2/h4-5,10,12-13H,6-9H2,1-3H3
InChIKeyYTAVVNJEWMRWFQ-UHFFFAOYSA-N
MW366.43 g/mol
LogP0.34
Rot. Bonds2

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

1,5-dimethyl-6-[2-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 126934193) has the molecular formula C18H22N8O and a molecular weight of 366.43 g/mol. Its IUPAC name is 1,5-dimethyl-6-[2-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1,5-dimethyl-6-[2-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID126934193
Molecular FormulaC18H22N8O
Molecular Weight366.43 g/mol
Exact Mass366.19
IUPAC Name1,5-dimethyl-6-[2-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1cncnc1N1CC2CN(c3nc4c(cnn4C)c(=O)n3C)CC2C1
InChIInChI=1S/C18H22N8O/c1-11-4-19-10-20-15(11)25-6-12-8-26(9-13(12)7-25)18-22-16-14(5-21-24(16)3)17(27)23(18)2/h4-5,10,12-13H,6-9H2,1-3H3
InChIKeyYTAVVNJEWMRWFQ-UHFFFAOYSA-N
XLogP0.34
TPSA84.97 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-6-[2-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1,5-dimethyl-6-[2-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[5,4-d]pyrimidin-4-one (CID 126934193) is 1,5-dimethyl-6-[2-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1,5-dimethyl-6-[2-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1,5-dimethyl-6-[2-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[5,4-d]pyrimidin-4-one is Cc1cncnc1N1CC2CN(c3nc4c(cnn4C)c(=O)n3C)CC2C1.
What is the InChIKey of 1,5-dimethyl-6-[2-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is YTAVVNJEWMRWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8O/c1-11-4-19-10-20-15(11)25-6-12-8-26(9-13(12)7-25)18-22-16-14(5-21-24(16)3)17(27)23(18)2/h4-5,10,12-13H,6-9H2,1-3H3.
What are the key properties of 1,5-dimethyl-6-[2-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[5,4-d]pyrimidin-4-one?
1,5-dimethyl-6-[2-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 366.43 g/mol, XLogP of 0.34, 2 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-6-[2-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 126934193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).