5-[4-(3-chloro-4-fluorophenyl)piperazine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione

C16H16ClFN4O3 — CID 71778354

IUPAC5-[4-(3-chloro-4-fluorophenyl)piperazine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]cc(C(=O)N2CCN(c3ccc(F)c(Cl)c3)CC2)c1=O
InChIInChI=1S/C16H16ClFN4O3/c1-20-14(23)11(9-19-16(20)25)15(24)22-6-4-21(5-7-22)10-2-3-13(18)12(17)8-10/h2-3,8-9H,4-7H2,1H3,(H,19,25)
InChIKeyYBLFBJMAFWGSLJ-UHFFFAOYSA-N
MW366.78 g/mol
LogP0.83
Rot. Bonds2

About 5-[4-(3-chloro-4-fluorophenyl)piperazine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione

5-[4-(3-chloro-4-fluorophenyl)piperazine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione (PubChem CID 71778354) has the molecular formula C16H16ClFN4O3 and a molecular weight of 366.78 g/mol. Its IUPAC name is 5-[4-(3-chloro-4-fluorophenyl)piperazine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[4-(3-chloro-4-fluorophenyl)piperazine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione
PubChem CID71778354
Molecular FormulaC16H16ClFN4O3
Molecular Weight366.78 g/mol
Exact Mass366.09
IUPAC Name5-[4-(3-chloro-4-fluorophenyl)piperazine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]cc(C(=O)N2CCN(c3ccc(F)c(Cl)c3)CC2)c1=O
InChIInChI=1S/C16H16ClFN4O3/c1-20-14(23)11(9-19-16(20)25)15(24)22-6-4-21(5-7-22)10-2-3-13(18)12(17)8-10/h2-3,8-9H,4-7H2,1H3,(H,19,25)
InChIKeyYBLFBJMAFWGSLJ-UHFFFAOYSA-N
XLogP0.83
TPSA78.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.78
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(2-chlorophenyl)piperazine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione
CID 71778343
3-[4-(3-chloro-4-fluorophenyl)piperazine-1-carbonyl]-1,4,6-trimethylpyridin-2-one
CID 77092812
4-[4-(3-chloro-4-fluorophenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one
CID 137147360
(5-chloro-1H-indol-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 113205820
[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 113076911
[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 113076928
(2,5-dichlorophenyl)-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]methanone
CID 87029906
3-(3-chloro-4-fluorophenyl)-N-(2,5-dichlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 16815260
(2-chloro-4-fluorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 46797435
[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]methanone
CID 121114387
N-(4-acetamidophenyl)-4-(3-chloro-4-fluorophenyl)piperazine-1-carboxamide
CID 113113323
3-(3-chloro-4-fluorophenyl)-N-(2-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 7137461

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-chloro-4-fluorophenyl)piperazine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[4-(3-chloro-4-fluorophenyl)piperazine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione (CID 71778354) is 5-[4-(3-chloro-4-fluorophenyl)piperazine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[4-(3-chloro-4-fluorophenyl)piperazine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[4-(3-chloro-4-fluorophenyl)piperazine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione is Cn1c(=O)[nH]cc(C(=O)N2CCN(c3ccc(F)c(Cl)c3)CC2)c1=O.
What is the InChIKey of 5-[4-(3-chloro-4-fluorophenyl)piperazine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is YBLFBJMAFWGSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN4O3/c1-20-14(23)11(9-19-16(20)25)15(24)22-6-4-21(5-7-22)10-2-3-13(18)12(17)8-10/h2-3,8-9H,4-7H2,1H3,(H,19,25).
What are the key properties of 5-[4-(3-chloro-4-fluorophenyl)piperazine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione?
5-[4-(3-chloro-4-fluorophenyl)piperazine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 366.78 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-chloro-4-fluorophenyl)piperazine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 71778354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).