6-amino-5-[1-(4-chlorophenyl)-1,4-dioxo-4-phenylbutan-2-yl]-5H-pyrimidine-2,4-dione

C20H16ClN3O4 — CID 44613002

IUPAC6-amino-5-[1-(4-chlorophenyl)-1,4-dioxo-4-phenylbutan-2-yl]-5H-pyrimidine-2,4-dione
SMILESNC1=NC(=O)NC(=O)C1C(CC(=O)c1ccccc1)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H16ClN3O4/c21-13-8-6-12(7-9-13)17(26)14(10-15(25)11-4-2-1-3-5-11)16-18(22)23-20(28)24-19(16)27/h1-9,14,16H,10H2,(H3,22,23,24,27,28)
InChIKeyZSPFZPCCQFAWEL-UHFFFAOYSA-N
MW397.82 g/mol
LogP2.64
Rot. Bonds6

About 6-amino-5-[1-(4-chlorophenyl)-1,4-dioxo-4-phenylbutan-2-yl]-5H-pyrimidine-2,4-dione

6-amino-5-[1-(4-chlorophenyl)-1,4-dioxo-4-phenylbutan-2-yl]-5H-pyrimidine-2,4-dione (PubChem CID 44613002) has the molecular formula C20H16ClN3O4 and a molecular weight of 397.82 g/mol. Its IUPAC name is 6-amino-5-[1-(4-chlorophenyl)-1,4-dioxo-4-phenylbutan-2-yl]-5H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[1-(4-chlorophenyl)-1,4-dioxo-4-phenylbutan-2-yl]-5H-pyrimidine-2,4-dione
PubChem CID44613002
Molecular FormulaC20H16ClN3O4
Molecular Weight397.82 g/mol
Exact Mass397.08
IUPAC Name6-amino-5-[1-(4-chlorophenyl)-1,4-dioxo-4-phenylbutan-2-yl]-5H-pyrimidine-2,4-dione
SMILESNC1=NC(=O)NC(=O)C1C(CC(=O)c1ccccc1)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H16ClN3O4/c21-13-8-6-12(7-9-13)17(26)14(10-15(25)11-4-2-1-3-5-11)16-18(22)23-20(28)24-19(16)27/h1-9,14,16H,10H2,(H3,22,23,24,27,28)
InChIKeyZSPFZPCCQFAWEL-UHFFFAOYSA-N
XLogP2.64
TPSA118.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.82
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-amino-5-[1-(4-chlorophenyl)-1,4-dioxo-4-phenylbutan-2-yl]-5H-pyrimidine-2,4-dione with MolForge

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Related Compounds

5-[1-(4-chlorophenyl)-1,4-dioxo-4-phenylbutan-2-yl]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 24881173
5-(1,4-dioxo-1,4-diphenylbutan-2-yl)-1,3-diazinane-2,4,6-trione
CID 24882062
4-(1,4-dioxo-1,4-diphenylbutan-2-yl)pyrazolidine-3,5-dione
CID 24881984
5-[1-(4-chlorophenyl)-1,4-dioxo-4-phenylbutan-2-yl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 24882235
2-(3-amino-5-oxo-4H-1,2-oxazol-4-yl)-1,4-diphenylbutane-1,4-dione
CID 44614778
5-[3-(4-chlorophenyl)-3-oxo-1-phenylpropyl]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 3834503
2-(3-amino-5-imino-4H-1,2-oxazol-4-yl)-1,4-bis(4-chlorophenyl)butane-1,4-dione
CID 44515790
(2R)-1-(4-chlorophenyl)-2,4-diphenylbutane-1,4-dione
CID 135053959
1-(4-chlorophenyl)-4-phenyl-2-pyridin-4-ylbutane-1,4-dione
CID 18939015
3-(4-chlorophenyl)-3-hydroxy-1-phenylpropan-1-one
CID 11032650
ethyl 3-(4-chlorobenzoyl)-2-cyano-5-oxo-5-phenylpentanoate
CID 44614627
(2R)-2-(4-chlorophenyl)-4-oxo-4-phenylbutanoic acid
CID 1483936

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[1-(4-chlorophenyl)-1,4-dioxo-4-phenylbutan-2-yl]-5H-pyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[1-(4-chlorophenyl)-1,4-dioxo-4-phenylbutan-2-yl]-5H-pyrimidine-2,4-dione (CID 44613002) is 6-amino-5-[1-(4-chlorophenyl)-1,4-dioxo-4-phenylbutan-2-yl]-5H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[1-(4-chlorophenyl)-1,4-dioxo-4-phenylbutan-2-yl]-5H-pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[1-(4-chlorophenyl)-1,4-dioxo-4-phenylbutan-2-yl]-5H-pyrimidine-2,4-dione is NC1=NC(=O)NC(=O)C1C(CC(=O)c1ccccc1)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 6-amino-5-[1-(4-chlorophenyl)-1,4-dioxo-4-phenylbutan-2-yl]-5H-pyrimidine-2,4-dione?
The InChIKey is ZSPFZPCCQFAWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O4/c21-13-8-6-12(7-9-13)17(26)14(10-15(25)11-4-2-1-3-5-11)16-18(22)23-20(28)24-19(16)27/h1-9,14,16H,10H2,(H3,22,23,24,27,28).
What are the key properties of 6-amino-5-[1-(4-chlorophenyl)-1,4-dioxo-4-phenylbutan-2-yl]-5H-pyrimidine-2,4-dione?
6-amino-5-[1-(4-chlorophenyl)-1,4-dioxo-4-phenylbutan-2-yl]-5H-pyrimidine-2,4-dione has a molecular weight of 397.82 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[1-(4-chlorophenyl)-1,4-dioxo-4-phenylbutan-2-yl]-5H-pyrimidine-2,4-dione is sourced from PubChem (CID 44613002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).