5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-1H-pyrimidine-2,4-dione

C16H9Cl3N2O2 — CID 10429071

IUPAC5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c(=O)[nH]1
InChIInChI=1S/C16H9Cl3N2O2/c17-9-3-1-8(2-4-9)13-14(20-16(23)21-15(13)22)11-6-5-10(18)7-12(11)19/h1-7H,(H2,20,21,22,23)
InChIKeySDTQPWPKLGHWLH-UHFFFAOYSA-N
MW367.62 g/mol
LogP4.36
Rot. Bonds2

About 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-1H-pyrimidine-2,4-dione

5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-1H-pyrimidine-2,4-dione (PubChem CID 10429071) has the molecular formula C16H9Cl3N2O2 and a molecular weight of 367.62 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-1H-pyrimidine-2,4-dione
PubChem CID10429071
Molecular FormulaC16H9Cl3N2O2
Molecular Weight367.62 g/mol
Exact Mass365.97
IUPAC Name5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c(=O)[nH]1
InChIInChI=1S/C16H9Cl3N2O2/c17-9-3-1-8(2-4-9)13-14(20-16(23)21-15(13)22)11-6-5-10(18)7-12(11)19/h1-7H,(H2,20,21,22,23)
InChIKeySDTQPWPKLGHWLH-UHFFFAOYSA-N
XLogP4.36
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.62
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-1H-pyrimidine-2,4-dione (CID 10429071) is 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-1H-pyrimidine-2,4-dione is O=c1[nH]c(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c(=O)[nH]1.
What is the InChIKey of 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-1H-pyrimidine-2,4-dione?
The InChIKey is SDTQPWPKLGHWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl3N2O2/c17-9-3-1-8(2-4-9)13-14(20-16(23)21-15(13)22)11-6-5-10(18)7-12(11)19/h1-7H,(H2,20,21,22,23).
What are the key properties of 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-1H-pyrimidine-2,4-dione?
5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-1H-pyrimidine-2,4-dione has a molecular weight of 367.62 g/mol, XLogP of 4.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 10429071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).