1-tert-butyl-4-[(4,6-dimethylpyrimidin-2-yl)amino]pyrrolidin-2-one

C14H22N4O — CID 71982265

IUPAC1-tert-butyl-4-[(4,6-dimethylpyrimidin-2-yl)amino]pyrrolidin-2-one
SMILESCc1cc(C)nc(NC2CC(=O)N(C(C)(C)C)C2)n1
InChIInChI=1S/C14H22N4O/c1-9-6-10(2)16-13(15-9)17-11-7-12(19)18(8-11)14(3,4)5/h6,11H,7-8H2,1-5H3,(H,15,16,17)
InChIKeyCBCLISZOUOOTQT-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.90
Rot. Bonds2

About 1-tert-butyl-4-[(4,6-dimethylpyrimidin-2-yl)amino]pyrrolidin-2-one

1-tert-butyl-4-[(4,6-dimethylpyrimidin-2-yl)amino]pyrrolidin-2-one (PubChem CID 71982265) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 1-tert-butyl-4-[(4,6-dimethylpyrimidin-2-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-tert-butyl-4-[(4,6-dimethylpyrimidin-2-yl)amino]pyrrolidin-2-one
PubChem CID71982265
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name1-tert-butyl-4-[(4,6-dimethylpyrimidin-2-yl)amino]pyrrolidin-2-one
SMILESCc1cc(C)nc(NC2CC(=O)N(C(C)(C)C)C2)n1
InChIInChI=1S/C14H22N4O/c1-9-6-10(2)16-13(15-9)17-11-7-12(19)18(8-11)14(3,4)5/h6,11H,7-8H2,1-5H3,(H,15,16,17)
InChIKeyCBCLISZOUOOTQT-UHFFFAOYSA-N
XLogP1.90
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid cyclopropylamide
CID 3223293
N-cyclopropyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3224234
1-(4,6-dimethylpyrimidin-2-yl)-N-ethylpiperidine-3-carboxamide
CID 3224256
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid (1,1-dimethyl-propyl)-amide
CID 653435
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-3-carboxylic acid cyclopentylamide
CID 655094
1-[2-[Cyano-(4,6-dimethyl-2-pyrimidinyl)amino]-1-oxoethyl]-4-piperidinecarboxamide
CID 666064
N-cyclohexyl-2-[(4,6-dimethyl-2-pyrimidinyl)amino]-4,5-dihydro-1H-imidazole-1-carboxamide
CID 938501
N-butyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 3223312
1-(4,6-dimethylpyrimidin-2-yl)-N-propan-2-ylpiperidine-3-carboxamide
CID 3224231
N~2~-cyano-N~2~-(4,6-dimethylpyrimidin-2-yl)-N,N-dimethylalaninamide
CID 2909654
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid propylamide
CID 655911
2-[Cyano-(4,6-dimethyl-pyrimidin-2-yl)-amino]-N,N-diethyl-propionamide
CID 3130268

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[(4,6-dimethylpyrimidin-2-yl)amino]pyrrolidin-2-one?
The IUPAC name of 1-tert-butyl-4-[(4,6-dimethylpyrimidin-2-yl)amino]pyrrolidin-2-one (CID 71982265) is 1-tert-butyl-4-[(4,6-dimethylpyrimidin-2-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for 1-tert-butyl-4-[(4,6-dimethylpyrimidin-2-yl)amino]pyrrolidin-2-one?
The canonical SMILES for 1-tert-butyl-4-[(4,6-dimethylpyrimidin-2-yl)amino]pyrrolidin-2-one is Cc1cc(C)nc(NC2CC(=O)N(C(C)(C)C)C2)n1.
What is the InChIKey of 1-tert-butyl-4-[(4,6-dimethylpyrimidin-2-yl)amino]pyrrolidin-2-one?
The InChIKey is CBCLISZOUOOTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-9-6-10(2)16-13(15-9)17-11-7-12(19)18(8-11)14(3,4)5/h6,11H,7-8H2,1-5H3,(H,15,16,17).
What are the key properties of 1-tert-butyl-4-[(4,6-dimethylpyrimidin-2-yl)amino]pyrrolidin-2-one?
1-tert-butyl-4-[(4,6-dimethylpyrimidin-2-yl)amino]pyrrolidin-2-one has a molecular weight of 262.36 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[(4,6-dimethylpyrimidin-2-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 71982265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).