1-(5-chloropentyl)-5-methylpyrimidine-2,4-dione

C10H15ClN2O2 — CID 59337581

IUPAC1-(5-chloropentyl)-5-methylpyrimidine-2,4-dione
SMILESCc1cn(CCCCCCl)c(=O)[nH]c1=O
InChIInChI=1S/C10H15ClN2O2/c1-8-7-13(6-4-2-3-5-11)10(15)12-9(8)14/h7H,2-6H2,1H3,(H,12,14,15)
InChIKeyFECNJDLMSBCIBS-UHFFFAOYSA-N
MW230.69 g/mol
LogP1.25
Rot. Bonds5

About 1-(5-chloropentyl)-5-methylpyrimidine-2,4-dione

1-(5-chloropentyl)-5-methylpyrimidine-2,4-dione (PubChem CID 59337581) has the molecular formula C10H15ClN2O2 and a molecular weight of 230.69 g/mol. Its IUPAC name is 1-(5-chloropentyl)-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(5-chloropentyl)-5-methylpyrimidine-2,4-dione
PubChem CID59337581
Molecular FormulaC10H15ClN2O2
Molecular Weight230.69 g/mol
Exact Mass230.08
IUPAC Name1-(5-chloropentyl)-5-methylpyrimidine-2,4-dione
SMILESCc1cn(CCCCCCl)c(=O)[nH]c1=O
InChIInChI=1S/C10H15ClN2O2/c1-8-7-13(6-4-2-3-5-11)10(15)12-9(8)14/h7H,2-6H2,1H3,(H,12,14,15)
InChIKeyFECNJDLMSBCIBS-UHFFFAOYSA-N
XLogP1.25
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloropentyl)-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-(5-chloropentyl)-5-methylpyrimidine-2,4-dione (CID 59337581) is 1-(5-chloropentyl)-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-(5-chloropentyl)-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-(5-chloropentyl)-5-methylpyrimidine-2,4-dione is Cc1cn(CCCCCCl)c(=O)[nH]c1=O.
What is the InChIKey of 1-(5-chloropentyl)-5-methylpyrimidine-2,4-dione?
The InChIKey is FECNJDLMSBCIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2/c1-8-7-13(6-4-2-3-5-11)10(15)12-9(8)14/h7H,2-6H2,1H3,(H,12,14,15).
What are the key properties of 1-(5-chloropentyl)-5-methylpyrimidine-2,4-dione?
1-(5-chloropentyl)-5-methylpyrimidine-2,4-dione has a molecular weight of 230.69 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloropentyl)-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 59337581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).