4-(2-chloropropyl)-6-methylpyrimidine

C8H11ClN2 — CID 63205078

IUPAC4-(2-chloropropyl)-6-methylpyrimidine
SMILESCc1cc(CC(C)Cl)ncn1
InChIInChI=1S/C8H11ClN2/c1-6(9)3-8-4-7(2)10-5-11-8/h4-6H,3H2,1-2H3
InChIKeyFPCUXBCQUCJRQL-UHFFFAOYSA-N
MW170.64 g/mol
LogP1.95
Rot. Bonds2

About 4-(2-chloropropyl)-6-methylpyrimidine

4-(2-chloropropyl)-6-methylpyrimidine (PubChem CID 63205078) has the molecular formula C8H11ClN2 and a molecular weight of 170.64 g/mol. Its IUPAC name is 4-(2-chloropropyl)-6-methylpyrimidine.

Molecular Properties

Compound Name4-(2-chloropropyl)-6-methylpyrimidine
PubChem CID63205078
Molecular FormulaC8H11ClN2
Molecular Weight170.64 g/mol
Exact Mass170.06
IUPAC Name4-(2-chloropropyl)-6-methylpyrimidine
SMILESCc1cc(CC(C)Cl)ncn1
InChIInChI=1S/C8H11ClN2/c1-6(9)3-8-4-7(2)10-5-11-8/h4-6H,3H2,1-2H3
InChIKeyFPCUXBCQUCJRQL-UHFFFAOYSA-N
XLogP1.95
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.64
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloropropyl)-6-methylpyrimidine?
The IUPAC name of 4-(2-chloropropyl)-6-methylpyrimidine (CID 63205078) is 4-(2-chloropropyl)-6-methylpyrimidine.
What is the SMILES notation for 4-(2-chloropropyl)-6-methylpyrimidine?
The canonical SMILES for 4-(2-chloropropyl)-6-methylpyrimidine is Cc1cc(CC(C)Cl)ncn1.
What is the InChIKey of 4-(2-chloropropyl)-6-methylpyrimidine?
The InChIKey is FPCUXBCQUCJRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2/c1-6(9)3-8-4-7(2)10-5-11-8/h4-6H,3H2,1-2H3.
What are the key properties of 4-(2-chloropropyl)-6-methylpyrimidine?
4-(2-chloropropyl)-6-methylpyrimidine has a molecular weight of 170.64 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloropropyl)-6-methylpyrimidine is sourced from PubChem (CID 63205078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).