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4-methyl-1-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-one

C21H24N6O — CID 74762791

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-methyl-1-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-one
SMILESCc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(N2CC(C)CC2=O)n1
InChIInChI=1S/C21H24N6O/c1-13-8-20(28)27(10-13)19-9-18(22-14(2)23-19)26-11-15(12-26)21-24-16-6-4-5-7-17(16)25(21)3/h4-7,9,13,15H,8,10-12H2,1-3H3
InChIKeyCMJFRPZLYSGPTI-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.65
Rot. Bonds3

About 4-methyl-1-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-one

4-methyl-1-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-one (PubChem CID 74762791) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 4-methyl-1-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-methyl-1-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-one
PubChem CID74762791
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name4-methyl-1-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-one
SMILESCc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(N2CC(C)CC2=O)n1
InChIInChI=1S/C21H24N6O/c1-13-8-20(28)27(10-13)19-9-18(22-14(2)23-19)26-11-15(12-26)21-24-16-6-4-5-7-17(16)25(21)3/h4-7,9,13,15H,8,10-12H2,1-3H3
InChIKeyCMJFRPZLYSGPTI-UHFFFAOYSA-N
XLogP2.65
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 4-methyl-1-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-one (CID 74762791) is 4-methyl-1-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-methyl-1-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 4-methyl-1-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-one is Cc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(N2CC(C)CC2=O)n1.
What is the InChIKey of 4-methyl-1-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-one?
The InChIKey is CMJFRPZLYSGPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-13-8-20(28)27(10-13)19-9-18(22-14(2)23-19)26-11-15(12-26)21-24-16-6-4-5-7-17(16)25(21)3/h4-7,9,13,15H,8,10-12H2,1-3H3.
What are the key properties of 4-methyl-1-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-one?
4-methyl-1-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-one has a molecular weight of 376.46 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 74762791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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