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

C18H23ClN4O2 — CID 19012086

IUPAC6-[4-[3-(4-chlorophenyl)propyl]piperazin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)cc(N2CCN(CCCc3ccc(Cl)cc3)CC2)[nH]c1=O
InChIInChI=1S/C18H23ClN4O2/c1-21-17(24)13-16(20-18(21)25)23-11-9-22(10-12-23)8-2-3-14-4-6-15(19)7-5-14/h4-7,13H,2-3,8-12H2,1H3,(H,20,25)
InChIKeyOAIPKVYAENWGPF-UHFFFAOYSA-N
MW362.86 g/mol
LogP1.48
Rot. Bonds5

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

6-[4-[3-(4-chlorophenyl)propyl]piperazin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione (PubChem CID 19012086) has the molecular formula C18H23ClN4O2 and a molecular weight of 362.86 g/mol. Its IUPAC name is 6-[4-[3-(4-chlorophenyl)propyl]piperazin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[4-[3-(4-chlorophenyl)propyl]piperazin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione
PubChem CID19012086
Molecular FormulaC18H23ClN4O2
Molecular Weight362.86 g/mol
Exact Mass362.15
IUPAC Name6-[4-[3-(4-chlorophenyl)propyl]piperazin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)cc(N2CCN(CCCc3ccc(Cl)cc3)CC2)[nH]c1=O
InChIInChI=1S/C18H23ClN4O2/c1-21-17(24)13-16(20-18(21)25)23-11-9-22(10-12-23)8-2-3-14-4-6-15(19)7-5-14/h4-7,13H,2-3,8-12H2,1H3,(H,20,25)
InChIKeyOAIPKVYAENWGPF-UHFFFAOYSA-N
XLogP1.48
TPSA61.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[3-(4-chlorophenyl)propyl]piperazin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[4-[3-(4-chlorophenyl)propyl]piperazin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione (CID 19012086) is 6-[4-[3-(4-chlorophenyl)propyl]piperazin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[4-[3-(4-chlorophenyl)propyl]piperazin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[4-[3-(4-chlorophenyl)propyl]piperazin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione is Cn1c(=O)cc(N2CCN(CCCc3ccc(Cl)cc3)CC2)[nH]c1=O.
What is the InChIKey of 6-[4-[3-(4-chlorophenyl)propyl]piperazin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is OAIPKVYAENWGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O2/c1-21-17(24)13-16(20-18(21)25)23-11-9-22(10-12-23)8-2-3-14-4-6-15(19)7-5-14/h4-7,13H,2-3,8-12H2,1H3,(H,20,25).
What are the key properties of 6-[4-[3-(4-chlorophenyl)propyl]piperazin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione?
6-[4-[3-(4-chlorophenyl)propyl]piperazin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 362.86 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[3-(4-chlorophenyl)propyl]piperazin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 19012086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).