6-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione

C15H14Cl2N4O3 — CID 72894274

IUPAC6-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESO=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C15H14Cl2N4O3/c16-10-2-1-9(7-11(10)17)20-3-5-21(6-4-20)14(23)12-8-13(22)19-15(24)18-12/h1-2,7-8H,3-6H2,(H2,18,19,22,24)
InChIKeyXREZIAMDGRLMGZ-UHFFFAOYSA-N
MW369.21 g/mol
LogP1.33
Rot. Bonds2

About 6-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione

6-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione (PubChem CID 72894274) has the molecular formula C15H14Cl2N4O3 and a molecular weight of 369.21 g/mol. Its IUPAC name is 6-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione
PubChem CID72894274
Molecular FormulaC15H14Cl2N4O3
Molecular Weight369.21 g/mol
Exact Mass368.04
IUPAC Name6-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESO=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C15H14Cl2N4O3/c16-10-2-1-9(7-11(10)17)20-3-5-21(6-4-20)14(23)12-8-13(22)19-15(24)18-12/h1-2,7-8H,3-6H2,(H2,18,19,22,24)
InChIKeyXREZIAMDGRLMGZ-UHFFFAOYSA-N
XLogP1.33
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.21
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione (CID 72894274) is 6-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione is O=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 6-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The InChIKey is XREZIAMDGRLMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N4O3/c16-10-2-1-9(7-11(10)17)20-3-5-21(6-4-20)14(23)12-8-13(22)19-15(24)18-12/h1-2,7-8H,3-6H2,(H2,18,19,22,24).
What are the key properties of 6-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione?
6-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione has a molecular weight of 369.21 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 72894274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).