6-[4-(3,5-dichloro-4-methylphenyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione

C16H16Cl2N4O3 — CID 156905881

IUPAC6-[4-(3,5-dichloro-4-methylphenyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESCc1c(Cl)cc(N2CCN(C(=O)c3cc(=O)[nH]c(=O)[nH]3)CC2)cc1Cl
InChIInChI=1S/C16H16Cl2N4O3/c1-9-11(17)6-10(7-12(9)18)21-2-4-22(5-3-21)15(24)13-8-14(23)20-16(25)19-13/h6-8H,2-5H2,1H3,(H2,19,20,23,25)
InChIKeyHKYIVHLRSLTYKM-UHFFFAOYSA-N
MW383.24 g/mol
LogP1.64
Rot. Bonds2

About 6-[4-(3,5-dichloro-4-methylphenyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione

6-[4-(3,5-dichloro-4-methylphenyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione (PubChem CID 156905881) has the molecular formula C16H16Cl2N4O3 and a molecular weight of 383.24 g/mol. Its IUPAC name is 6-[4-(3,5-dichloro-4-methylphenyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[4-(3,5-dichloro-4-methylphenyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione
PubChem CID156905881
Molecular FormulaC16H16Cl2N4O3
Molecular Weight383.24 g/mol
Exact Mass382.06
IUPAC Name6-[4-(3,5-dichloro-4-methylphenyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESCc1c(Cl)cc(N2CCN(C(=O)c3cc(=O)[nH]c(=O)[nH]3)CC2)cc1Cl
InChIInChI=1S/C16H16Cl2N4O3/c1-9-11(17)6-10(7-12(9)18)21-2-4-22(5-3-21)15(24)13-8-14(23)20-16(25)19-13/h6-8H,2-5H2,1H3,(H2,19,20,23,25)
InChIKeyHKYIVHLRSLTYKM-UHFFFAOYSA-N
XLogP1.64
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.24
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Benzyl-1-piperazinyl)-N-(3-chloro-4-methylphenyl)acetamide
CID 1206470
6-[4-(3,4,5-trichlorophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione
CID 156905880
2-[[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide
CID 2469805
6-{4-[4-chloro-3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}pyrimidine-2,4(1H,3H)-dione
CID 156905883
2-chloro-4-[4-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperazin-1-yl]benzaldehyde
CID 156905884
6-{4-[3-chloro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl}pyrimidine-2,4(1H,3H)-dione
CID 156905885
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3,5-dichlorophenyl)acetamide
CID 2418887
3-(5-chloro-2-methylphenyl)-6-(4-ethylpiperazin-1-yl)-1H-pyrimidine-2,4-dione
CID 3235600
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-ethylacetamide
CID 3925054
6-(3-Chloro-4-methyl-phenylamino)-3-(4-methoxy-butyl)-1H-pyrimidine-2,4-dione
CID 10065688
N-(3-chloro-2-methylphenyl)-N'-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)urea
CID 16024800
4-(4-benzyl-2,3-dioxopiperazin-1-yl)-N-(3-chloro-4-methylphenyl)piperidine-1-carboxamide
CID 16033246

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3,5-dichloro-4-methylphenyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[4-(3,5-dichloro-4-methylphenyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione (CID 156905881) is 6-[4-(3,5-dichloro-4-methylphenyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[4-(3,5-dichloro-4-methylphenyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[4-(3,5-dichloro-4-methylphenyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione is Cc1c(Cl)cc(N2CCN(C(=O)c3cc(=O)[nH]c(=O)[nH]3)CC2)cc1Cl.
What is the InChIKey of 6-[4-(3,5-dichloro-4-methylphenyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The InChIKey is HKYIVHLRSLTYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N4O3/c1-9-11(17)6-10(7-12(9)18)21-2-4-22(5-3-21)15(24)13-8-14(23)20-16(25)19-13/h6-8H,2-5H2,1H3,(H2,19,20,23,25).
What are the key properties of 6-[4-(3,5-dichloro-4-methylphenyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione?
6-[4-(3,5-dichloro-4-methylphenyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione has a molecular weight of 383.24 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3,5-dichloro-4-methylphenyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 156905881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).