1-(2,2-dimethylpropyl)-4-[(6-methyl-2-phenylpyrimidin-4-yl)amino]pyrrolidin-2-one

C20H26N4O — CID 56887374

IUPAC1-(2,2-dimethylpropyl)-4-[(6-methyl-2-phenylpyrimidin-4-yl)amino]pyrrolidin-2-one
SMILESCc1cc(NC2CC(=O)N(CC(C)(C)C)C2)nc(-c2ccccc2)n1
InChIInChI=1S/C20H26N4O/c1-14-10-17(23-19(21-14)15-8-6-5-7-9-15)22-16-11-18(25)24(12-16)13-20(2,3)4/h5-10,16H,11-13H2,1-4H3,(H,21,22,23)
InChIKeyKCNOEPIXHVOCEX-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.51
Rot. Bonds4

About 1-(2,2-dimethylpropyl)-4-[(6-methyl-2-phenylpyrimidin-4-yl)amino]pyrrolidin-2-one

1-(2,2-dimethylpropyl)-4-[(6-methyl-2-phenylpyrimidin-4-yl)amino]pyrrolidin-2-one (PubChem CID 56887374) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-4-[(6-methyl-2-phenylpyrimidin-4-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-4-[(6-methyl-2-phenylpyrimidin-4-yl)amino]pyrrolidin-2-one
PubChem CID56887374
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name1-(2,2-dimethylpropyl)-4-[(6-methyl-2-phenylpyrimidin-4-yl)amino]pyrrolidin-2-one
SMILESCc1cc(NC2CC(=O)N(CC(C)(C)C)C2)nc(-c2ccccc2)n1
InChIInChI=1S/C20H26N4O/c1-14-10-17(23-19(21-14)15-8-6-5-7-9-15)22-16-11-18(25)24(12-16)13-20(2,3)4/h5-10,16H,11-13H2,1-4H3,(H,21,22,23)
InChIKeyKCNOEPIXHVOCEX-UHFFFAOYSA-N
XLogP3.51
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-4-[(6-methyl-2-phenylpyrimidin-4-yl)amino]pyrrolidin-2-one?
The IUPAC name of 1-(2,2-dimethylpropyl)-4-[(6-methyl-2-phenylpyrimidin-4-yl)amino]pyrrolidin-2-one (CID 56887374) is 1-(2,2-dimethylpropyl)-4-[(6-methyl-2-phenylpyrimidin-4-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-4-[(6-methyl-2-phenylpyrimidin-4-yl)amino]pyrrolidin-2-one?
The canonical SMILES for 1-(2,2-dimethylpropyl)-4-[(6-methyl-2-phenylpyrimidin-4-yl)amino]pyrrolidin-2-one is Cc1cc(NC2CC(=O)N(CC(C)(C)C)C2)nc(-c2ccccc2)n1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-4-[(6-methyl-2-phenylpyrimidin-4-yl)amino]pyrrolidin-2-one?
The InChIKey is KCNOEPIXHVOCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-14-10-17(23-19(21-14)15-8-6-5-7-9-15)22-16-11-18(25)24(12-16)13-20(2,3)4/h5-10,16H,11-13H2,1-4H3,(H,21,22,23).
What are the key properties of 1-(2,2-dimethylpropyl)-4-[(6-methyl-2-phenylpyrimidin-4-yl)amino]pyrrolidin-2-one?
1-(2,2-dimethylpropyl)-4-[(6-methyl-2-phenylpyrimidin-4-yl)amino]pyrrolidin-2-one has a molecular weight of 338.46 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-4-[(6-methyl-2-phenylpyrimidin-4-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 56887374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).