6-amino-5-[2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione

C18H18ClN5O5 — CID 4827206

IUPAC6-amino-5-[2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(N)c(C(=O)CN2C(=O)NC(C)(c3ccc(Cl)cc3)C2=O)c(=O)n(C)c1=O
InChIInChI=1S/C18H18ClN5O5/c1-18(9-4-6-10(19)7-5-9)15(27)24(16(28)21-18)8-11(25)12-13(20)22(2)17(29)23(3)14(12)26/h4-7H,8,20H2,1-3H3,(H,21,28)
InChIKeyUSVWGTFKOYQTAW-UHFFFAOYSA-N
MW419.83 g/mol
LogP-0.03
Rot. Bonds4

About 6-amino-5-[2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione

6-amino-5-[2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 4827206) has the molecular formula C18H18ClN5O5 and a molecular weight of 419.83 g/mol. Its IUPAC name is 6-amino-5-[2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID4827206
Molecular FormulaC18H18ClN5O5
Molecular Weight419.83 g/mol
Exact Mass419.10
IUPAC Name6-amino-5-[2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(N)c(C(=O)CN2C(=O)NC(C)(c3ccc(Cl)cc3)C2=O)c(=O)n(C)c1=O
InChIInChI=1S/C18H18ClN5O5/c1-18(9-4-6-10(19)7-5-9)15(27)24(16(28)21-18)8-11(25)12-13(20)22(2)17(29)23(3)14(12)26/h4-7H,8,20H2,1-3H3,(H,21,28)
InChIKeyUSVWGTFKOYQTAW-UHFFFAOYSA-N
XLogP-0.03
TPSA136.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.83
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione (CID 4827206) is 6-amino-5-[2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione is Cn1c(N)c(C(=O)CN2C(=O)NC(C)(c3ccc(Cl)cc3)C2=O)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-5-[2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is USVWGTFKOYQTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O5/c1-18(9-4-6-10(19)7-5-9)15(27)24(16(28)21-18)8-11(25)12-13(20)22(2)17(29)23(3)14(12)26/h4-7H,8,20H2,1-3H3,(H,21,28).
What are the key properties of 6-amino-5-[2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione?
6-amino-5-[2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 419.83 g/mol, XLogP of -0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 4827206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).