5-[4-[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]piperazine-1-carbonyl]pyrrolidin-2-one

C21H26N6O3 — CID 121032103

IUPAC5-[4-[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCOc1ccc(Nc2cc(C)nc(N3CCN(C(=O)C4CCC(=O)N4)CC3)n2)cc1
InChIInChI=1S/C21H26N6O3/c1-14-13-18(23-15-3-5-16(30-2)6-4-15)25-21(22-14)27-11-9-26(10-12-27)20(29)17-7-8-19(28)24-17/h3-6,13,17H,7-12H2,1-2H3,(H,24,28)(H,22,23,25)
InChIKeyJZTQGNYDUKRZOV-UHFFFAOYSA-N
MW410.48 g/mol
LogP1.46
Rot. Bonds5

About 5-[4-[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]piperazine-1-carbonyl]pyrrolidin-2-one

5-[4-[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 121032103) has the molecular formula C21H26N6O3 and a molecular weight of 410.48 g/mol. Its IUPAC name is 5-[4-[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[4-[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID121032103
Molecular FormulaC21H26N6O3
Molecular Weight410.48 g/mol
Exact Mass410.21
IUPAC Name5-[4-[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCOc1ccc(Nc2cc(C)nc(N3CCN(C(=O)C4CCC(=O)N4)CC3)n2)cc1
InChIInChI=1S/C21H26N6O3/c1-14-13-18(23-15-3-5-16(30-2)6-4-15)25-21(22-14)27-11-9-26(10-12-27)20(29)17-7-8-19(28)24-17/h3-6,13,17H,7-12H2,1-2H3,(H,24,28)(H,22,23,25)
InChIKeyJZTQGNYDUKRZOV-UHFFFAOYSA-N
XLogP1.46
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[4-[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]piperazine-1-carbonyl]pyrrolidin-2-one with MolForge

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Related Compounds

cyclohexyl-[4-[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone
CID 27477448
4-[4-[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 122346600
1-(4-methoxyphenyl)-4-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 122346363
(2,4-dimethoxyphenyl)-[4-[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone
CID 27477666
2-(4-fluorophenyl)-1-[4-[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone
CID 121031968
[4-[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
CID 122346612
furan-3-yl-[4-[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone
CID 122346635
1-[4-[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-2-phenoxyethanone
CID 18566510
2-[2-[4-[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 122346610
(4-bromothiophen-2-yl)-[4-[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone
CID 122346657
1,3-benzodioxol-5-yl-[4-[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone
CID 16809099
1-[4-[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 122346686

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 5-[4-[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]piperazine-1-carbonyl]pyrrolidin-2-one (CID 121032103) is 5-[4-[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[4-[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 5-[4-[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]piperazine-1-carbonyl]pyrrolidin-2-one is COc1ccc(Nc2cc(C)nc(N3CCN(C(=O)C4CCC(=O)N4)CC3)n2)cc1.
What is the InChIKey of 5-[4-[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is JZTQGNYDUKRZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O3/c1-14-13-18(23-15-3-5-16(30-2)6-4-15)25-21(22-14)27-11-9-26(10-12-27)20(29)17-7-8-19(28)24-17/h3-6,13,17H,7-12H2,1-2H3,(H,24,28)(H,22,23,25).
What are the key properties of 5-[4-[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]piperazine-1-carbonyl]pyrrolidin-2-one?
5-[4-[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 410.48 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 121032103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).