1-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-5-methylpyrimidine-2,4-dione

C19H25ClN4O2 — CID 67375779

IUPAC1-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(CCCCN2CCN(c3ccccc3Cl)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C19H25ClN4O2/c1-15-14-24(19(26)21-18(15)25)9-5-4-8-22-10-12-23(13-11-22)17-7-3-2-6-16(17)20/h2-3,6-7,14H,4-5,8-13H2,1H3,(H,21,25,26)
InChIKeyCNZUUIZNZRFTDP-UHFFFAOYSA-N
MW376.89 g/mol
LogP2.10
Rot. Bonds6

About 1-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-5-methylpyrimidine-2,4-dione

1-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-5-methylpyrimidine-2,4-dione (PubChem CID 67375779) has the molecular formula C19H25ClN4O2 and a molecular weight of 376.89 g/mol. Its IUPAC name is 1-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-5-methylpyrimidine-2,4-dione
PubChem CID67375779
Molecular FormulaC19H25ClN4O2
Molecular Weight376.89 g/mol
Exact Mass376.17
IUPAC Name1-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(CCCCN2CCN(c3ccccc3Cl)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C19H25ClN4O2/c1-15-14-24(19(26)21-18(15)25)9-5-4-8-22-10-12-23(13-11-22)17-7-3-2-6-16(17)20/h2-3,6-7,14H,4-5,8-13H2,1H3,(H,21,25,26)
InChIKeyCNZUUIZNZRFTDP-UHFFFAOYSA-N
XLogP2.10
TPSA61.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.89
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]butyl]-5-methylpyrimidine-2,4-dione
CID 67373956
5-methyl-1-[4-[4-(4-methylphenyl)piperazin-1-yl]butyl]pyrimidine-2,4-dione
CID 67373850
1-[4-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]butyl]-5-methylpyrimidine-2,4-dione
CID 66737897
1-[4-(4-benzylpiperidin-1-yl)butyl]-5-methylpyrimidine-2,4-dione
CID 66737741
5-methyl-1-[4-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]butyl]pyrimidine-2,4-dione
CID 67374237
3-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-1H-benzimidazol-2-one
CID 23369424
2-[6-[4-(2-chlorophenyl)piperazin-1-yl]hexyl]isoindole-1,3-dione;hydrobromide
CID 24839637
5-chloro-1-(3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-dione
CID 66425170
1-(5-chloropentyl)-5-methylpyrimidine-2,4-dione
CID 59337581
5-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one
CID 15030099
5-methyl-1-[2-[4-(2-methylphenyl)-1,4-diazepan-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 70783415
1-[4-[4-[1-(1,3-dioxol-4-yl)-2-phenylethyl]piperazin-1-yl]butyl]-5-methylpyrimidine-2,4-dione
CID 66737819

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-5-methylpyrimidine-2,4-dione (CID 67375779) is 1-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-5-methylpyrimidine-2,4-dione is Cc1cn(CCCCN2CCN(c3ccccc3Cl)CC2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-5-methylpyrimidine-2,4-dione?
The InChIKey is CNZUUIZNZRFTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O2/c1-15-14-24(19(26)21-18(15)25)9-5-4-8-22-10-12-23(13-11-22)17-7-3-2-6-16(17)20/h2-3,6-7,14H,4-5,8-13H2,1H3,(H,21,25,26).
What are the key properties of 1-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-5-methylpyrimidine-2,4-dione?
1-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-5-methylpyrimidine-2,4-dione has a molecular weight of 376.89 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 67375779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).