6-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione

C15H17ClN4O2 — CID 7080823

IUPAC6-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)cc(N2CCN(c3cccc(Cl)c3)CC2)[nH]c1=O
InChIInChI=1S/C15H17ClN4O2/c1-18-14(21)10-13(17-15(18)22)20-7-5-19(6-8-20)12-4-2-3-11(16)9-12/h2-4,9-10H,5-8H2,1H3,(H,17,22)
InChIKeyKRFNDOVBRLIXCL-UHFFFAOYSA-N
MW320.78 g/mol
LogP1.05
Rot. Bonds2

About 6-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione

6-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione (PubChem CID 7080823) has the molecular formula C15H17ClN4O2 and a molecular weight of 320.78 g/mol. Its IUPAC name is 6-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione
PubChem CID7080823
Molecular FormulaC15H17ClN4O2
Molecular Weight320.78 g/mol
Exact Mass320.10
IUPAC Name6-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)cc(N2CCN(c3cccc(Cl)c3)CC2)[nH]c1=O
InChIInChI=1S/C15H17ClN4O2/c1-18-14(21)10-13(17-15(18)22)20-7-5-19(6-8-20)12-4-2-3-11(16)9-12/h2-4,9-10H,5-8H2,1H3,(H,17,22)
InChIKeyKRFNDOVBRLIXCL-UHFFFAOYSA-N
XLogP1.05
TPSA61.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

SR1848
CID 3238389
1-(3,5-Dichlorophenyl)-3-(1-propionylpiperidin-4-yl)urea
CID 49783424
3-(4-chlorophenyl)-6-methyl-2,4(1H,3H)-pyrimidinedione
CID 3454747
N-(3-chlorophenyl)-2-piperidin-1-ylacetamide
CID 16188853
1-(4-Chlorophenyl)-3-(2-piperidin-1-ylethyl)urea
CID 4189678
2-(4-(4-Chlorophenyl)-1-piperazinyl)-5,6-dimethyl-4(3H)-pyrimidinone
CID 135491366
Piperazine, 1-(3-chlorophenyl)-4-(1-oxobutyl)-
CID 3072306
N-(3-Chlorophenyl)-4-phenyl-1-piperazinecarboxamide
CID 858193
1-(3-Chlorophenylcarbamoyl)piperidine
CID 350216
3-(3-Chlorophenyl)-1,1-diisopropylurea
CID 764705
6-(4-(3,4-dichlorophenyl)piperazine-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 72894274
6-[4-(3,4,5-trichlorophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione
CID 156905880

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione (CID 7080823) is 6-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione is Cn1c(=O)cc(N2CCN(c3cccc(Cl)c3)CC2)[nH]c1=O.
What is the InChIKey of 6-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is KRFNDOVBRLIXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O2/c1-18-14(21)10-13(17-15(18)22)20-7-5-19(6-8-20)12-4-2-3-11(16)9-12/h2-4,9-10H,5-8H2,1H3,(H,17,22).
What are the key properties of 6-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione?
6-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 320.78 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 7080823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).