tert-butyl 3-[[2-[3-(3,4-dichlorophenyl)-2-oxoimidazolidin-1-yl]-6-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate;1-(4-chloro-6-methylpyrimidin-2-yl)-3-(3,4-dichlorophenyl)imidazolidin-2-one

C38H41Cl5N10O4 — CID 159686393

About tert-butyl 3-[[2-[3-(3,4-dichlorophenyl)-2-oxoimidazolidin-1-yl]-6-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate;1-(4-chloro-6-methylpyrimidin-2-yl)-3-(3,4-dichlorophenyl)imidazolidin-2-one

tert-butyl 3-[[2-[3-(3,4-dichlorophenyl)-2-oxoimidazolidin-1-yl]-6-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate;1-(4-chloro-6-methylpyrimidin-2-yl)-3-(3,4-dichlorophenyl)imidazolidin-2-one (PubChem CID 159686393) has the molecular formula C38H41Cl5N10O4 and a molecular weight of 879.08 g/mol. Its IUPAC name is tert-butyl 3-[[2-[3-(3,4-dichlorophenyl)-2-oxoimidazolidin-1-yl]-6-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate;1-(4-chloro-6-methylpyrimidin-2-yl)-3-(3,4-dichlorophenyl)imidazolidin-2-one.

Molecular Properties

• Compound Name: tert-butyl 3-[[2-[3-(3,4-dichlorophenyl)-2-oxoimidazolidin-1-yl]-6-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate;1-(4-chloro-6-methylpyrimidin-2-yl)-3-(3,4-dichlorophenyl)imidazolidin-2-one
• PubChem CID: 159686393
• Molecular Formula: C38H41Cl5N10O4
• Molecular Weight: 879.08 g/mol
• Exact Mass: 876.18
• IUPAC Name: tert-butyl 3-[[2-[3-(3,4-dichlorophenyl)-2-oxoimidazolidin-1-yl]-6-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate;1-(4-chloro-6-methylpyrimidin-2-yl)-3-(3,4-dichlorophenyl)imidazolidin-2-one
• SMILES: Cc1cc(Cl)nc(N2CCN(c3ccc(Cl)c(Cl)c3)C2=O)n1.Cc1cc(NC2CCCN(C(=O)OC(C)(C)C)C2)nc(N2CCN(c3ccc(Cl)c(Cl)c3)C2=O)n1
• InChI: InChI=1S/C24H30Cl2N6O3.C14H11Cl3N4O/c1-15-12-20(28-16-6-5-9-30(14-16)23(34)35-24(2,3)4)29-21(27-15)32-11-10-31(22(32)33)17-7-8-18(25)19(26)13-17;1-8-6-12(17)19-13(18-8)21-5-4-20(14(21)22)9-2-3-10(15)11(16)7-9/h7-8,12-13,16H,5-6,9-11,14H2,1-4H3,(H,27,28,29);2-3,6-7H,4-5H2,1H3
• InChIKey: MVVVYBGQHKYLHM-UHFFFAOYSA-N
• XLogP: 9.54
• TPSA: 140.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	879.08
LogP ≤ 5	9.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[2-[3-(3,4-dichlorophenyl)-2-oxoimidazolidin-1-yl]-6-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate;1-(4-chloro-6-methylpyrimidin-2-yl)-3-(3,4-dichlorophenyl)imidazolidin-2-one?

The IUPAC name of tert-butyl 3-[[2-[3-(3,4-dichlorophenyl)-2-oxoimidazolidin-1-yl]-6-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate;1-(4-chloro-6-methylpyrimidin-2-yl)-3-(3,4-dichlorophenyl)imidazolidin-2-one (CID 159686393) is tert-butyl 3-[[2-[3-(3,4-dichlorophenyl)-2-oxoimidazolidin-1-yl]-6-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate;1-(4-chloro-6-methylpyrimidin-2-yl)-3-(3,4-dichlorophenyl)imidazolidin-2-one.

What is the SMILES notation for tert-butyl 3-[[2-[3-(3,4-dichlorophenyl)-2-oxoimidazolidin-1-yl]-6-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate;1-(4-chloro-6-methylpyrimidin-2-yl)-3-(3,4-dichlorophenyl)imidazolidin-2-one?

The canonical SMILES for tert-butyl 3-[[2-[3-(3,4-dichlorophenyl)-2-oxoimidazolidin-1-yl]-6-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate;1-(4-chloro-6-methylpyrimidin-2-yl)-3-(3,4-dichlorophenyl)imidazolidin-2-one is Cc1cc(Cl)nc(N2CCN(c3ccc(Cl)c(Cl)c3)C2=O)n1.Cc1cc(NC2CCCN(C(=O)OC(C)(C)C)C2)nc(N2CCN(c3ccc(Cl)c(Cl)c3)C2=O)n1.

What is the InChIKey of tert-butyl 3-[[2-[3-(3,4-dichlorophenyl)-2-oxoimidazolidin-1-yl]-6-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate;1-(4-chloro-6-methylpyrimidin-2-yl)-3-(3,4-dichlorophenyl)imidazolidin-2-one?

The InChIKey is MVVVYBGQHKYLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30Cl2N6O3.C14H11Cl3N4O/c1-15-12-20(28-16-6-5-9-30(14-16)23(34)35-24(2,3)4)29-21(27-15)32-11-10-31(22(32)33)17-7-8-18(25)19(26)13-17;1-8-6-12(17)19-13(18-8)21-5-4-20(14(21)22)9-2-3-10(15)11(16)7-9/h7-8,12-13,16H,5-6,9-11,14H2,1-4H3,(H,27,28,29);2-3,6-7H,4-5H2,1H3.

What are the key properties of tert-butyl 3-[[2-[3-(3,4-dichlorophenyl)-2-oxoimidazolidin-1-yl]-6-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate;1-(4-chloro-6-methylpyrimidin-2-yl)-3-(3,4-dichlorophenyl)imidazolidin-2-one?

tert-butyl 3-[[2-[3-(3,4-dichlorophenyl)-2-oxoimidazolidin-1-yl]-6-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate;1-(4-chloro-6-methylpyrimidin-2-yl)-3-(3,4-dichlorophenyl)imidazolidin-2-one has a molecular weight of 879.08 g/mol, XLogP of 9.54, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-[[2-[3-(3,4-dichlorophenyl)-2-oxoimidazolidin-1-yl]-6-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate;1-(4-chloro-6-methylpyrimidin-2-yl)-3-(3,4-dichlorophenyl)imidazolidin-2-one is sourced from PubChem (CID 159686393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).