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

C15H23ClN4O — CID 133342356

IUPAC1-tert-butyl-4-[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one
SMILESCCc1c(Cl)nc(C)nc1NC1CC(=O)N(C(C)(C)C)C1
InChIInChI=1S/C15H23ClN4O/c1-6-11-13(16)17-9(2)18-14(11)19-10-7-12(21)20(8-10)15(3,4)5/h10H,6-8H2,1-5H3,(H,17,18,19)
InChIKeySTHUWSQYZCOPPK-UHFFFAOYSA-N
MW310.83 g/mol
LogP2.81
Rot. Bonds3

About 1-tert-butyl-4-[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one

1-tert-butyl-4-[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one (PubChem CID 133342356) has the molecular formula C15H23ClN4O and a molecular weight of 310.83 g/mol. Its IUPAC name is 1-tert-butyl-4-[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-tert-butyl-4-[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one
PubChem CID133342356
Molecular FormulaC15H23ClN4O
Molecular Weight310.83 g/mol
Exact Mass310.16
IUPAC Name1-tert-butyl-4-[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one
SMILESCCc1c(Cl)nc(C)nc1NC1CC(=O)N(C(C)(C)C)C1
InChIInChI=1S/C15H23ClN4O/c1-6-11-13(16)17-9(2)18-14(11)19-10-7-12(21)20(8-10)15(3,4)5/h10H,6-8H2,1-5H3,(H,17,18,19)
InChIKeySTHUWSQYZCOPPK-UHFFFAOYSA-N
XLogP2.81
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-tert-butyl-4-[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one with MolForge

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Related Compounds

N-(1-tert-butylpiperidin-4-yl)-6-chloro-5-ethyl-2-methylpyrimidin-4-amine
CID 133318911
1-[2-[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]pyrrolidine-2,5-dione
CID 71996460
methyl 4-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 133342294
1-tert-butyl-4-[(6-chloropyrazin-2-yl)amino]pyrrolidin-2-one
CID 133342299
6-chloro-5-ethyl-2-methyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyrimidin-4-amine
CID 133330046
2,6-dichloro-N-cyclopropyl-5-ethylpyrimidin-4-amine
CID 89032813
4-(1,3-benzoxazol-2-ylamino)-1-tert-butylpyrrolidin-2-one
CID 133342194
2-[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]-1-morpholin-4-ylethanone
CID 133437153
(4S)-1-[(2-chlorophenyl)methyl]-4-[(2-methyl-5-propylpyrimidin-4-yl)amino]pyrrolidin-2-one
CID 95708688
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)pentanamide
CID 110736860
1-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-(2-chloroethyl)urea
CID 108876104
1-[[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 133447647

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one?
The IUPAC name of 1-tert-butyl-4-[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one (CID 133342356) is 1-tert-butyl-4-[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for 1-tert-butyl-4-[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one?
The canonical SMILES for 1-tert-butyl-4-[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one is CCc1c(Cl)nc(C)nc1NC1CC(=O)N(C(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-4-[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one?
The InChIKey is STHUWSQYZCOPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4O/c1-6-11-13(16)17-9(2)18-14(11)19-10-7-12(21)20(8-10)15(3,4)5/h10H,6-8H2,1-5H3,(H,17,18,19).
What are the key properties of 1-tert-butyl-4-[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one?
1-tert-butyl-4-[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one has a molecular weight of 310.83 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 133342356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).