4-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]pyrrolidin-2-one

C13H19ClN4O — CID 106192257

IUPAC4-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]pyrrolidin-2-one
SMILESCc1c(Cl)nc(C(C)(C)C)nc1NC1CNC(=O)C1
InChIInChI=1S/C13H19ClN4O/c1-7-10(14)17-12(13(2,3)4)18-11(7)16-8-5-9(19)15-6-8/h8H,5-6H2,1-4H3,(H,15,19)(H,16,17,18)
InChIKeyUWHMASPPAYYUIU-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.04
Rot. Bonds2

About 4-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]pyrrolidin-2-one

4-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]pyrrolidin-2-one (PubChem CID 106192257) has the molecular formula C13H19ClN4O and a molecular weight of 282.77 g/mol. Its IUPAC name is 4-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]pyrrolidin-2-one
PubChem CID106192257
Molecular FormulaC13H19ClN4O
Molecular Weight282.77 g/mol
Exact Mass282.12
IUPAC Name4-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]pyrrolidin-2-one
SMILESCc1c(Cl)nc(C(C)(C)C)nc1NC1CNC(=O)C1
InChIInChI=1S/C13H19ClN4O/c1-7-10(14)17-12(13(2,3)4)18-11(7)16-8-5-9(19)15-6-8/h8H,5-6H2,1-4H3,(H,15,19)(H,16,17,18)
InChIKeyUWHMASPPAYYUIU-UHFFFAOYSA-N
XLogP2.04
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]pyrrolidin-2-one
CID 106192202
4-[(3-methylpyrazin-2-yl)amino]pyrrolidin-2-one
CID 106191914
4-[(6-chloro-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one
CID 103952551
2-tert-butyl-6-chloro-N-(1-cyclopentylethyl)-5-methylpyrimidin-4-amine
CID 80978132
4-[(4,6-dimethylpyrimidin-2-yl)amino]pyrrolidin-2-one
CID 103952534
4-[(5-amino-6-chloropyrimidin-4-yl)amino]pyrrolidin-2-one
CID 106182693
2-tert-butyl-6-chloro-N-(3-ethylpentan-3-yl)-5-methylpyrimidin-4-amine
CID 80978304
2-tert-butyl-6-chloro-N-(2,2-dimethylbutyl)-5-methylpyrimidin-4-amine
CID 103463623
2-tert-butyl-6-chloro-5-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
CID 80970078
4-[(3,5,6-trifluoro-2-pyridinyl)amino]pyrrolidin-2-one
CID 106192216
2-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]acetamide
CID 80970188
4-[(6-chloro-5-nitropyrimidin-4-yl)amino]pyrrolidin-2-one
CID 106192268

Frequently Asked Questions

What is the IUPAC name of 4-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]pyrrolidin-2-one?
The IUPAC name of 4-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]pyrrolidin-2-one (CID 106192257) is 4-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for 4-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]pyrrolidin-2-one?
The canonical SMILES for 4-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]pyrrolidin-2-one is Cc1c(Cl)nc(C(C)(C)C)nc1NC1CNC(=O)C1.
What is the InChIKey of 4-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]pyrrolidin-2-one?
The InChIKey is UWHMASPPAYYUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O/c1-7-10(14)17-12(13(2,3)4)18-11(7)16-8-5-9(19)15-6-8/h8H,5-6H2,1-4H3,(H,15,19)(H,16,17,18).
What are the key properties of 4-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]pyrrolidin-2-one?
4-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]pyrrolidin-2-one has a molecular weight of 282.77 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 106192257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).