5-[(2,4-dichlorophenyl)-(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-1H-pyrimidine-2,4-dione

C15H10Cl2N4O4 — CID 172877040

IUPAC5-[(2,4-dichlorophenyl)-(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(C(c2ccc(Cl)cc2Cl)c2c[nH]c(=O)[nH]c2=O)c(=O)[nH]1
InChIInChI=1S/C15H10Cl2N4O4/c16-6-1-2-7(10(17)3-6)11(8-4-18-14(24)20-12(8)22)9-5-19-15(25)21-13(9)23/h1-5,11H,(H2,18,20,22,24)(H2,19,21,23,25)
InChIKeyPUIULCDQICDONF-UHFFFAOYSA-N
MW381.18 g/mol
LogP0.93
Rot. Bonds3

About 5-[(2,4-dichlorophenyl)-(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-1H-pyrimidine-2,4-dione

5-[(2,4-dichlorophenyl)-(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-1H-pyrimidine-2,4-dione (PubChem CID 172877040) has the molecular formula C15H10Cl2N4O4 and a molecular weight of 381.18 g/mol. Its IUPAC name is 5-[(2,4-dichlorophenyl)-(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(2,4-dichlorophenyl)-(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-1H-pyrimidine-2,4-dione
PubChem CID172877040
Molecular FormulaC15H10Cl2N4O4
Molecular Weight381.18 g/mol
Exact Mass380.01
IUPAC Name5-[(2,4-dichlorophenyl)-(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(C(c2ccc(Cl)cc2Cl)c2c[nH]c(=O)[nH]c2=O)c(=O)[nH]1
InChIInChI=1S/C15H10Cl2N4O4/c16-6-1-2-7(10(17)3-6)11(8-4-18-14(24)20-12(8)22)9-5-19-15(25)21-13(9)23/h1-5,11H,(H2,18,20,22,24)(H2,19,21,23,25)
InChIKeyPUIULCDQICDONF-UHFFFAOYSA-N
XLogP0.93
TPSA131.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.18
LogP ≤ 50.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 5-[(2,4-dichlorophenyl)-(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-1H-pyrimidine-2,4-dione with MolForge

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Related Compounds

5-[2-(4-Chlorophenyl)ethyl]-1-hydroxypyrimidine-2,4-dione
CID 168274416
5-(3-Chloro-benzyl)-1H-pyrimidine-2,4-dione
CID 10399246
5-(2-chlorophenyl)-1,3-dimethyl-5,8-dihydropyrido[2,3-d]pyrimidine-2,4,7(1H,3H,6H)-trione
CID 3162452
5-(4-Chloro-benzyl)-1H-pyrimidine-2,4-dione
CID 10105551
5-(2-Chloro-benzyl)-1H-pyrimidine-2,4-dione
CID 10354131
5-(3,4-Dichloro-benzyl)-1H-pyrimidine-2,4-dione
CID 10378466
5-[(4-chlorophenyl)-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione;N-ethylethanamine
CID 145947186
5-[(4-chlorophenyl)-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione;N-ethylethanamine
CID 145947695
6-amino-5-[(6-amino-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-(2,4-dichlorophenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one
CID 2815449
5-[(2,4-dioxo-1H-pyrimidin-5-yl)-phenyl-methyl]-1H-pyrimidine-2,4-dione
CID 11688187
5-[(4-chlorophenyl)-(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-1H-pyrimidine-2,4-dione
CID 69571479
5-[(2,4-dichlorophenyl)-(1,3-diethyl-4-hydroxy-6-oxo-2-sulfanylidenepyrimidin-5-yl)methyl]-1,3-diethyl-6-hydroxy-2-sulfanylidenepyrimidin-4-one;N-ethylethanamine
CID 156011082

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dichlorophenyl)-(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(2,4-dichlorophenyl)-(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-1H-pyrimidine-2,4-dione (CID 172877040) is 5-[(2,4-dichlorophenyl)-(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(2,4-dichlorophenyl)-(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(2,4-dichlorophenyl)-(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-1H-pyrimidine-2,4-dione is O=c1[nH]cc(C(c2ccc(Cl)cc2Cl)c2c[nH]c(=O)[nH]c2=O)c(=O)[nH]1.
What is the InChIKey of 5-[(2,4-dichlorophenyl)-(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is PUIULCDQICDONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N4O4/c16-6-1-2-7(10(17)3-6)11(8-4-18-14(24)20-12(8)22)9-5-19-15(25)21-13(9)23/h1-5,11H,(H2,18,20,22,24)(H2,19,21,23,25).
What are the key properties of 5-[(2,4-dichlorophenyl)-(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-1H-pyrimidine-2,4-dione?
5-[(2,4-dichlorophenyl)-(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 381.18 g/mol, XLogP of 0.93, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dichlorophenyl)-(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 172877040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).