5-butyl-4,6-dichloro-2-methylpyrimidine

C9H12Cl2N2 — CID 88924675

IUPAC5-butyl-4,6-dichloro-2-methylpyrimidine
SMILESCCCCc1c(Cl)nc(C)nc1Cl
InChIInChI=1S/C9H12Cl2N2/c1-3-4-5-7-8(10)12-6(2)13-9(7)11/h3-5H2,1-2H3
InChIKeyNTRYFWYPQQWDFR-UHFFFAOYSA-N
MW219.11 g/mol
LogP3.43
Rot. Bonds3

About 5-butyl-4,6-dichloro-2-methylpyrimidine

5-butyl-4,6-dichloro-2-methylpyrimidine (PubChem CID 88924675) has the molecular formula C9H12Cl2N2 and a molecular weight of 219.11 g/mol. Its IUPAC name is 5-butyl-4,6-dichloro-2-methylpyrimidine.

Molecular Properties

Compound Name5-butyl-4,6-dichloro-2-methylpyrimidine
PubChem CID88924675
Molecular FormulaC9H12Cl2N2
Molecular Weight219.11 g/mol
Exact Mass218.04
IUPAC Name5-butyl-4,6-dichloro-2-methylpyrimidine
SMILESCCCCc1c(Cl)nc(C)nc1Cl
InChIInChI=1S/C9H12Cl2N2/c1-3-4-5-7-8(10)12-6(2)13-9(7)11/h3-5H2,1-2H3
InChIKeyNTRYFWYPQQWDFR-UHFFFAOYSA-N
XLogP3.43
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.11
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-4,6-dichloro-2-methylpyrimidine?
The IUPAC name of 5-butyl-4,6-dichloro-2-methylpyrimidine (CID 88924675) is 5-butyl-4,6-dichloro-2-methylpyrimidine.
What is the SMILES notation for 5-butyl-4,6-dichloro-2-methylpyrimidine?
The canonical SMILES for 5-butyl-4,6-dichloro-2-methylpyrimidine is CCCCc1c(Cl)nc(C)nc1Cl.
What is the InChIKey of 5-butyl-4,6-dichloro-2-methylpyrimidine?
The InChIKey is NTRYFWYPQQWDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2N2/c1-3-4-5-7-8(10)12-6(2)13-9(7)11/h3-5H2,1-2H3.
What are the key properties of 5-butyl-4,6-dichloro-2-methylpyrimidine?
5-butyl-4,6-dichloro-2-methylpyrimidine has a molecular weight of 219.11 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-4,6-dichloro-2-methylpyrimidine is sourced from PubChem (CID 88924675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).