1-(3-chlorophenyl)-3-[(6-methylpyrimidin-4-yl)amino]pyrrolidin-2-one

C15H15ClN4O — CID 133338455

IUPAC1-(3-chlorophenyl)-3-[(6-methylpyrimidin-4-yl)amino]pyrrolidin-2-one
SMILESCc1cc(NC2CCN(c3cccc(Cl)c3)C2=O)ncn1
InChIInChI=1S/C15H15ClN4O/c1-10-7-14(18-9-17-10)19-13-5-6-20(15(13)21)12-4-2-3-11(16)8-12/h2-4,7-9,13H,5-6H2,1H3,(H,17,18,19)
InChIKeyCDBBGDCPDZSMHJ-UHFFFAOYSA-N
MW302.77 g/mol
LogP2.66
Rot. Bonds3

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

1-(3-chlorophenyl)-3-[(6-methylpyrimidin-4-yl)amino]pyrrolidin-2-one (PubChem CID 133338455) has the molecular formula C15H15ClN4O and a molecular weight of 302.77 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[(6-methylpyrimidin-4-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[(6-methylpyrimidin-4-yl)amino]pyrrolidin-2-one
PubChem CID133338455
Molecular FormulaC15H15ClN4O
Molecular Weight302.77 g/mol
Exact Mass302.09
IUPAC Name1-(3-chlorophenyl)-3-[(6-methylpyrimidin-4-yl)amino]pyrrolidin-2-one
SMILESCc1cc(NC2CCN(c3cccc(Cl)c3)C2=O)ncn1
InChIInChI=1S/C15H15ClN4O/c1-10-7-14(18-9-17-10)19-13-5-6-20(15(13)21)12-4-2-3-11(16)8-12/h2-4,7-9,13H,5-6H2,1H3,(H,17,18,19)
InChIKeyCDBBGDCPDZSMHJ-UHFFFAOYSA-N
XLogP2.66
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.77
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(3-chlorophenyl)-3-(methylamino)pyrrolidin-2-one
CID 94236892
1-(3-chlorophenyl)-3-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]pyrrolidin-2-one
CID 133338513
1-(3-chlorophenyl)-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]pyrrolidin-2-one
CID 133338501
5-[[(3S)-1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-dihydrobenzimidazol-2-one
CID 97011173
1-(3-chlorophenyl)-3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pyrrolidin-2-one
CID 133338490
3-[(6-ethoxypyrimidin-4-yl)amino]-1-(4-methylphenyl)pyrrolidin-2-one
CID 133484160
2-[[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-thiazole-5-sulfonamide
CID 133338471
1-(3-chlorophenyl)-3-[3-(hydroxymethyl)anilino]pyrrolidin-2-one
CID 111824444
(3S)-1-(3-chlorophenyl)-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)pyrrolidin-2-one
CID 97221908
(3R)-1-(3-chlorophenyl)-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one
CID 96529412
3-[(4-amino-5-nitropyrimidin-2-yl)amino]-1-(3-chlorophenyl)pyrrolidin-2-one
CID 133338488
3-amino-N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]butanamide
CID 119814144

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[(6-methylpyrimidin-4-yl)amino]pyrrolidin-2-one?
The IUPAC name of 1-(3-chlorophenyl)-3-[(6-methylpyrimidin-4-yl)amino]pyrrolidin-2-one (CID 133338455) is 1-(3-chlorophenyl)-3-[(6-methylpyrimidin-4-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[(6-methylpyrimidin-4-yl)amino]pyrrolidin-2-one?
The canonical SMILES for 1-(3-chlorophenyl)-3-[(6-methylpyrimidin-4-yl)amino]pyrrolidin-2-one is Cc1cc(NC2CCN(c3cccc(Cl)c3)C2=O)ncn1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[(6-methylpyrimidin-4-yl)amino]pyrrolidin-2-one?
The InChIKey is CDBBGDCPDZSMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O/c1-10-7-14(18-9-17-10)19-13-5-6-20(15(13)21)12-4-2-3-11(16)8-12/h2-4,7-9,13H,5-6H2,1H3,(H,17,18,19).
What are the key properties of 1-(3-chlorophenyl)-3-[(6-methylpyrimidin-4-yl)amino]pyrrolidin-2-one?
1-(3-chlorophenyl)-3-[(6-methylpyrimidin-4-yl)amino]pyrrolidin-2-one has a molecular weight of 302.77 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[(6-methylpyrimidin-4-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 133338455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).