6-methyl-3-[2-[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]-2-oxoethyl]pyrimidin-4-one

C21H26N6O2 — CID 155976871

IUPAC6-methyl-3-[2-[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]-2-oxoethyl]pyrimidin-4-one
SMILESCc1cc(=O)n(CC(=O)N2CC3CN(c4nc(C)nc5c4CCC5)CC3C2)cn1
InChIInChI=1S/C21H26N6O2/c1-13-6-19(28)27(12-22-13)11-20(29)25-7-15-9-26(10-16(15)8-25)21-17-4-3-5-18(17)23-14(2)24-21/h6,12,15-16H,3-5,7-11H2,1-2H3
InChIKeyLOXQNZDDACAKAN-UHFFFAOYSA-N
MW394.48 g/mol
LogP0.73
Rot. Bonds3

About 6-methyl-3-[2-[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]-2-oxoethyl]pyrimidin-4-one

6-methyl-3-[2-[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]-2-oxoethyl]pyrimidin-4-one (PubChem CID 155976871) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is 6-methyl-3-[2-[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]-2-oxoethyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-3-[2-[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]-2-oxoethyl]pyrimidin-4-one
PubChem CID155976871
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC Name6-methyl-3-[2-[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]-2-oxoethyl]pyrimidin-4-one
SMILESCc1cc(=O)n(CC(=O)N2CC3CN(c4nc(C)nc5c4CCC5)CC3C2)cn1
InChIInChI=1S/C21H26N6O2/c1-13-6-19(28)27(12-22-13)11-20(29)25-7-15-9-26(10-16(15)8-25)21-17-4-3-5-18(17)23-14(2)24-21/h6,12,15-16H,3-5,7-11H2,1-2H3
InChIKeyLOXQNZDDACAKAN-UHFFFAOYSA-N
XLogP0.73
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-methyl-3-[2-[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]-2-oxoethyl]pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[2-[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]-2-oxoethyl]pyrimidin-4-one?
The IUPAC name of 6-methyl-3-[2-[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]-2-oxoethyl]pyrimidin-4-one (CID 155976871) is 6-methyl-3-[2-[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]-2-oxoethyl]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-3-[2-[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]-2-oxoethyl]pyrimidin-4-one?
The canonical SMILES for 6-methyl-3-[2-[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]-2-oxoethyl]pyrimidin-4-one is Cc1cc(=O)n(CC(=O)N2CC3CN(c4nc(C)nc5c4CCC5)CC3C2)cn1.
What is the InChIKey of 6-methyl-3-[2-[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]-2-oxoethyl]pyrimidin-4-one?
The InChIKey is LOXQNZDDACAKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-13-6-19(28)27(12-22-13)11-20(29)25-7-15-9-26(10-16(15)8-25)21-17-4-3-5-18(17)23-14(2)24-21/h6,12,15-16H,3-5,7-11H2,1-2H3.
What are the key properties of 6-methyl-3-[2-[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]-2-oxoethyl]pyrimidin-4-one?
6-methyl-3-[2-[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]-2-oxoethyl]pyrimidin-4-one has a molecular weight of 394.48 g/mol, XLogP of 0.73, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[2-[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]-2-oxoethyl]pyrimidin-4-one is sourced from PubChem (CID 155976871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).