[2-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(1-methylimidazol-4-yl)methanone

C19H24N6O — CID 155976843

IUPAC[2-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(1-methylimidazol-4-yl)methanone
SMILESCc1nc2c(c(N3CC4CN(C(=O)c5cn(C)cn5)CC4C3)n1)CCC2
InChIInChI=1S/C19H24N6O/c1-12-21-16-5-3-4-15(16)18(22-12)24-6-13-8-25(9-14(13)7-24)19(26)17-10-23(2)11-20-17/h10-11,13-14H,3-9H2,1-2H3
InChIKeyYDFVTASWTDVEDJ-UHFFFAOYSA-N
MW352.44 g/mol
LogP1.22
Rot. Bonds2

About [2-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(1-methylimidazol-4-yl)methanone

[2-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(1-methylimidazol-4-yl)methanone (PubChem CID 155976843) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is [2-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(1-methylimidazol-4-yl)methanone.

Molecular Properties

Compound Name[2-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(1-methylimidazol-4-yl)methanone
PubChem CID155976843
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name[2-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(1-methylimidazol-4-yl)methanone
SMILESCc1nc2c(c(N3CC4CN(C(=O)c5cn(C)cn5)CC4C3)n1)CCC2
InChIInChI=1S/C19H24N6O/c1-12-21-16-5-3-4-15(16)18(22-12)24-6-13-8-25(9-14(13)7-24)19(26)17-10-23(2)11-20-17/h10-11,13-14H,3-9H2,1-2H3
InChIKeyYDFVTASWTDVEDJ-UHFFFAOYSA-N
XLogP1.22
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(1-methylimidazol-4-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(1-methylimidazol-4-yl)methanone?
The IUPAC name of [2-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(1-methylimidazol-4-yl)methanone (CID 155976843) is [2-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(1-methylimidazol-4-yl)methanone.
What is the SMILES notation for [2-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(1-methylimidazol-4-yl)methanone?
The canonical SMILES for [2-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(1-methylimidazol-4-yl)methanone is Cc1nc2c(c(N3CC4CN(C(=O)c5cn(C)cn5)CC4C3)n1)CCC2.
What is the InChIKey of [2-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(1-methylimidazol-4-yl)methanone?
The InChIKey is YDFVTASWTDVEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-12-21-16-5-3-4-15(16)18(22-12)24-6-13-8-25(9-14(13)7-24)19(26)17-10-23(2)11-20-17/h10-11,13-14H,3-9H2,1-2H3.
What are the key properties of [2-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(1-methylimidazol-4-yl)methanone?
[2-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(1-methylimidazol-4-yl)methanone has a molecular weight of 352.44 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(1-methylimidazol-4-yl)methanone is sourced from PubChem (CID 155976843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).