1-butyl-N-[(4-chlorophenyl)methyl]-3-(3-methoxyphenyl)-2,4-dioxopyrimidine-5-carboxamide;1-butyl-3-(3-methoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-2,4-dioxopyrimidine-5-carboxamide;3-(3-chlorophenyl)-1-(2-methoxyethyl)-2,4-dioxo-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidine-5-carboxamide

C72H75Cl2N11O13 — CID 87968715

About 1-butyl-N-[(4-chlorophenyl)methyl]-3-(3-methoxyphenyl)-2,4-dioxopyrimidine-5-carboxamide;1-butyl-3-(3-methoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-2,4-dioxopyrimidine-5-carboxamide;3-(3-chlorophenyl)-1-(2-methoxyethyl)-2,4-dioxo-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidine-5-carboxamide

1-butyl-N-[(4-chlorophenyl)methyl]-3-(3-methoxyphenyl)-2,4-dioxopyrimidine-5-carboxamide;1-butyl-3-(3-methoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-2,4-dioxopyrimidine-5-carboxamide;3-(3-chlorophenyl)-1-(2-methoxyethyl)-2,4-dioxo-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidine-5-carboxamide (PubChem CID 87968715) has the molecular formula C72H75Cl2N11O13 and a molecular weight of 1373.36 g/mol. Its IUPAC name is 1-butyl-N-[(4-chlorophenyl)methyl]-3-(3-methoxyphenyl)-2,4-dioxopyrimidine-5-carboxamide;1-butyl-3-(3-methoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-2,4-dioxopyrimidine-5-carboxamide;3-(3-chlorophenyl)-1-(2-methoxyethyl)-2,4-dioxo-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 1-butyl-N-[(4-chlorophenyl)methyl]-3-(3-methoxyphenyl)-2,4-dioxopyrimidine-5-carboxamide;1-butyl-3-(3-methoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-2,4-dioxopyrimidine-5-carboxamide;3-(3-chlorophenyl)-1-(2-methoxyethyl)-2,4-dioxo-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidine-5-carboxamide
• PubChem CID: 87968715
• Molecular Formula: C72H75Cl2N11O13
• Molecular Weight: 1373.36 g/mol
• Exact Mass: 1371.49
• IUPAC Name: 1-butyl-N-[(4-chlorophenyl)methyl]-3-(3-methoxyphenyl)-2,4-dioxopyrimidine-5-carboxamide;1-butyl-3-(3-methoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-2,4-dioxopyrimidine-5-carboxamide;3-(3-chlorophenyl)-1-(2-methoxyethyl)-2,4-dioxo-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidine-5-carboxamide
• SMILES: CCCCn1cc(C(=O)NCCc2cccc(OC)c2)c(=O)n(-c2cccc(OC)c2)c1=O.CCCCn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)n(-c2cccc(OC)c2)c1=O.COCCn1cc(C(=O)NCc2ccc(-n3cccn3)cc2)c(=O)n(-c2cccc(Cl)c2)c1=O
• InChI: InChI=1S/C25H29N3O5.C24H22ClN5O4.C23H24ClN3O4/c1-4-5-14-27-17-22(23(29)26-13-12-18-8-6-10-20(15-18)32-2)24(30)28(25(27)31)19-9-7-11-21(16-19)33-3;1-34-13-12-28-16-21(23(32)30(24(28)33)20-5-2-4-18(25)14-20)22(31)26-15-17-6-8-19(9-7-17)29-11-3-10-27-29;1-3-4-12-26-15-20(21(28)25-14-16-8-10-17(24)11-9-16)22(29)27(23(26)30)18-6-5-7-19(13-18)31-2/h6-11,15-17H,4-5,12-14H2,1-3H3,(H,26,29);2-11,14,16H,12-13,15H2,1H3,(H,26,31);5-11,13,15H,3-4,12,14H2,1-2H3,(H,25,28)
• InChIKey: ZIRKZYJJXVFMLO-UHFFFAOYSA-N
• XLogP: 8.60
• TPSA: 274.04 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 26
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1373.36
LogP ≤ 5	8.60
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-[(4-chlorophenyl)methyl]-3-(3-methoxyphenyl)-2,4-dioxopyrimidine-5-carboxamide;1-butyl-3-(3-methoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-2,4-dioxopyrimidine-5-carboxamide;3-(3-chlorophenyl)-1-(2-methoxyethyl)-2,4-dioxo-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidine-5-carboxamide?

The IUPAC name of 1-butyl-N-[(4-chlorophenyl)methyl]-3-(3-methoxyphenyl)-2,4-dioxopyrimidine-5-carboxamide;1-butyl-3-(3-methoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-2,4-dioxopyrimidine-5-carboxamide;3-(3-chlorophenyl)-1-(2-methoxyethyl)-2,4-dioxo-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidine-5-carboxamide (CID 87968715) is 1-butyl-N-[(4-chlorophenyl)methyl]-3-(3-methoxyphenyl)-2,4-dioxopyrimidine-5-carboxamide;1-butyl-3-(3-methoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-2,4-dioxopyrimidine-5-carboxamide;3-(3-chlorophenyl)-1-(2-methoxyethyl)-2,4-dioxo-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidine-5-carboxamide.

What is the SMILES notation for 1-butyl-N-[(4-chlorophenyl)methyl]-3-(3-methoxyphenyl)-2,4-dioxopyrimidine-5-carboxamide;1-butyl-3-(3-methoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-2,4-dioxopyrimidine-5-carboxamide;3-(3-chlorophenyl)-1-(2-methoxyethyl)-2,4-dioxo-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidine-5-carboxamide?

The canonical SMILES for 1-butyl-N-[(4-chlorophenyl)methyl]-3-(3-methoxyphenyl)-2,4-dioxopyrimidine-5-carboxamide;1-butyl-3-(3-methoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-2,4-dioxopyrimidine-5-carboxamide;3-(3-chlorophenyl)-1-(2-methoxyethyl)-2,4-dioxo-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidine-5-carboxamide is CCCCn1cc(C(=O)NCCc2cccc(OC)c2)c(=O)n(-c2cccc(OC)c2)c1=O.CCCCn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)n(-c2cccc(OC)c2)c1=O.COCCn1cc(C(=O)NCc2ccc(-n3cccn3)cc2)c(=O)n(-c2cccc(Cl)c2)c1=O.

What is the InChIKey of 1-butyl-N-[(4-chlorophenyl)methyl]-3-(3-methoxyphenyl)-2,4-dioxopyrimidine-5-carboxamide;1-butyl-3-(3-methoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-2,4-dioxopyrimidine-5-carboxamide;3-(3-chlorophenyl)-1-(2-methoxyethyl)-2,4-dioxo-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidine-5-carboxamide?

The InChIKey is ZIRKZYJJXVFMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O5.C24H22ClN5O4.C23H24ClN3O4/c1-4-5-14-27-17-22(23(29)26-13-12-18-8-6-10-20(15-18)32-2)24(30)28(25(27)31)19-9-7-11-21(16-19)33-3;1-34-13-12-28-16-21(23(32)30(24(28)33)20-5-2-4-18(25)14-20)22(31)26-15-17-6-8-19(9-7-17)29-11-3-10-27-29;1-3-4-12-26-15-20(21(28)25-14-16-8-10-17(24)11-9-16)22(29)27(23(26)30)18-6-5-7-19(13-18)31-2/h6-11,15-17H,4-5,12-14H2,1-3H3,(H,26,29);2-11,14,16H,12-13,15H2,1H3,(H,26,31);5-11,13,15H,3-4,12,14H2,1-2H3,(H,25,28).

What are the key properties of 1-butyl-N-[(4-chlorophenyl)methyl]-3-(3-methoxyphenyl)-2,4-dioxopyrimidine-5-carboxamide;1-butyl-3-(3-methoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-2,4-dioxopyrimidine-5-carboxamide;3-(3-chlorophenyl)-1-(2-methoxyethyl)-2,4-dioxo-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidine-5-carboxamide?

1-butyl-N-[(4-chlorophenyl)methyl]-3-(3-methoxyphenyl)-2,4-dioxopyrimidine-5-carboxamide;1-butyl-3-(3-methoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-2,4-dioxopyrimidine-5-carboxamide;3-(3-chlorophenyl)-1-(2-methoxyethyl)-2,4-dioxo-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidine-5-carboxamide has a molecular weight of 1373.36 g/mol, XLogP of 8.60, 26 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1-butyl-N-[(4-chlorophenyl)methyl]-3-(3-methoxyphenyl)-2,4-dioxopyrimidine-5-carboxamide;1-butyl-3-(3-methoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-2,4-dioxopyrimidine-5-carboxamide;3-(3-chlorophenyl)-1-(2-methoxyethyl)-2,4-dioxo-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 87968715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).