1-(4-chloro-3-fluorophenyl)-3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one

C17H18ClFN4O — CID 133462212

IUPAC1-(4-chloro-3-fluorophenyl)-3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one
SMILESCCc1cc(NC2CCN(c3ccc(Cl)c(F)c3)C2=O)nc(C)n1
InChIInChI=1S/C17H18ClFN4O/c1-3-11-8-16(21-10(2)20-11)22-15-6-7-23(17(15)24)12-4-5-13(18)14(19)9-12/h4-5,8-9,15H,3,6-7H2,1-2H3,(H,20,21,22)
InChIKeyRQUMCQNAQGFUKH-UHFFFAOYSA-N
MW348.81 g/mol
LogP3.36
Rot. Bonds4

About 1-(4-chloro-3-fluorophenyl)-3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one

1-(4-chloro-3-fluorophenyl)-3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one (PubChem CID 133462212) has the molecular formula C17H18ClFN4O and a molecular weight of 348.81 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one
PubChem CID133462212
Molecular FormulaC17H18ClFN4O
Molecular Weight348.81 g/mol
Exact Mass348.12
IUPAC Name1-(4-chloro-3-fluorophenyl)-3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one
SMILESCCc1cc(NC2CCN(c3ccc(Cl)c(F)c3)C2=O)nc(C)n1
InChIInChI=1S/C17H18ClFN4O/c1-3-11-8-16(21-10(2)20-11)22-15-6-7-23(17(15)24)12-4-5-13(18)14(19)9-12/h4-5,8-9,15H,3,6-7H2,1-2H3,(H,20,21,22)
InChIKeyRQUMCQNAQGFUKH-UHFFFAOYSA-N
XLogP3.36
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-4-fluorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one
CID 714358
ZM 253270
CID 9847605
3-(4-chlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-3,5-dihydro-4H-imidazol-4-one
CID 658606
2-[1-[(2-chloro-4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]acetamide
CID 24791407
1-[2-(4-chloroanilino)-6-methylpyrimidin-4-yl]-N,N-diethylpiperidine-3-carboxamide
CID 44523652
N-(4-chlorophenyl)-4-propyl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-2-amine
CID 44523936
2-N-(2-chlorophenyl)-4-N,6-dimethyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-2,4-diamine
CID 44530796
2-N-(4-chlorophenyl)-4-N-[2-(dimethylamino)ethyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 44530797
2-N-(4-chlorophenyl)-4-N,6-dimethyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-2,4-diamine
CID 44530799
N-(4-chlorophenyl)-4-[3-(dimethylamino)pyrrolidin-1-yl]-6-methylpyrimidin-2-amine
CID 44530800
1-(4-Chlorophenyl)-2-[4-[2-(diethylamino)ethylamino]-6-methylpyrimidin-2-yl]guanidine;hydrochloride
CID 44531283
N-(3-chlorophenyl)-6-methyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 46879349

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one (CID 133462212) is 1-(4-chloro-3-fluorophenyl)-3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one is CCc1cc(NC2CCN(c3ccc(Cl)c(F)c3)C2=O)nc(C)n1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one?
The InChIKey is RQUMCQNAQGFUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN4O/c1-3-11-8-16(21-10(2)20-11)22-15-6-7-23(17(15)24)12-4-5-13(18)14(19)9-12/h4-5,8-9,15H,3,6-7H2,1-2H3,(H,20,21,22).
What are the key properties of 1-(4-chloro-3-fluorophenyl)-3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one?
1-(4-chloro-3-fluorophenyl)-3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one has a molecular weight of 348.81 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 133462212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).