4,6-dichloro-5-pentylpyrimidine

C9H12Cl2N2 — CID 87510136

IUPAC4,6-dichloro-5-pentylpyrimidine
SMILESCCCCCc1c(Cl)ncnc1Cl
InChIInChI=1S/C9H12Cl2N2/c1-2-3-4-5-7-8(10)12-6-13-9(7)11/h6H,2-5H2,1H3
InChIKeyVOOGGDJWQFYEJD-UHFFFAOYSA-N
MW219.11 g/mol
LogP3.52
Rot. Bonds4

About 4,6-dichloro-5-pentylpyrimidine

4,6-dichloro-5-pentylpyrimidine (PubChem CID 87510136) has the molecular formula C9H12Cl2N2 and a molecular weight of 219.11 g/mol. Its IUPAC name is 4,6-dichloro-5-pentylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-pentylpyrimidine
PubChem CID87510136
Molecular FormulaC9H12Cl2N2
Molecular Weight219.11 g/mol
Exact Mass218.04
IUPAC Name4,6-dichloro-5-pentylpyrimidine
SMILESCCCCCc1c(Cl)ncnc1Cl
InChIInChI=1S/C9H12Cl2N2/c1-2-3-4-5-7-8(10)12-6-13-9(7)11/h6H,2-5H2,1H3
InChIKeyVOOGGDJWQFYEJD-UHFFFAOYSA-N
XLogP3.52
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.11
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-pentylpyrimidine?
The IUPAC name of 4,6-dichloro-5-pentylpyrimidine (CID 87510136) is 4,6-dichloro-5-pentylpyrimidine.
What is the SMILES notation for 4,6-dichloro-5-pentylpyrimidine?
The canonical SMILES for 4,6-dichloro-5-pentylpyrimidine is CCCCCc1c(Cl)ncnc1Cl.
What is the InChIKey of 4,6-dichloro-5-pentylpyrimidine?
The InChIKey is VOOGGDJWQFYEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2N2/c1-2-3-4-5-7-8(10)12-6-13-9(7)11/h6H,2-5H2,1H3.
What are the key properties of 4,6-dichloro-5-pentylpyrimidine?
4,6-dichloro-5-pentylpyrimidine has a molecular weight of 219.11 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-pentylpyrimidine is sourced from PubChem (CID 87510136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).