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

C9H12Cl2N2O — CID 88924762

IUPAC5-butyl-4,6-dichloro-2-methoxypyrimidine
SMILESCCCCc1c(Cl)nc(OC)nc1Cl
InChIInChI=1S/C9H12Cl2N2O/c1-3-4-5-6-7(10)12-9(14-2)13-8(6)11/h3-5H2,1-2H3
InChIKeyDLKKHXLIHHDNFB-UHFFFAOYSA-N
MW235.11 g/mol
LogP3.13
Rot. Bonds4

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

5-butyl-4,6-dichloro-2-methoxypyrimidine (PubChem CID 88924762) has the molecular formula C9H12Cl2N2O and a molecular weight of 235.11 g/mol. Its IUPAC name is 5-butyl-4,6-dichloro-2-methoxypyrimidine.

Molecular Properties

Compound Name5-butyl-4,6-dichloro-2-methoxypyrimidine
PubChem CID88924762
Molecular FormulaC9H12Cl2N2O
Molecular Weight235.11 g/mol
Exact Mass234.03
IUPAC Name5-butyl-4,6-dichloro-2-methoxypyrimidine
SMILESCCCCc1c(Cl)nc(OC)nc1Cl
InChIInChI=1S/C9H12Cl2N2O/c1-3-4-5-6-7(10)12-9(14-2)13-8(6)11/h3-5H2,1-2H3
InChIKeyDLKKHXLIHHDNFB-UHFFFAOYSA-N
XLogP3.13
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.11
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-4,6-dichloro-2-methoxypyrimidine?
The IUPAC name of 5-butyl-4,6-dichloro-2-methoxypyrimidine (CID 88924762) is 5-butyl-4,6-dichloro-2-methoxypyrimidine.
What is the SMILES notation for 5-butyl-4,6-dichloro-2-methoxypyrimidine?
The canonical SMILES for 5-butyl-4,6-dichloro-2-methoxypyrimidine is CCCCc1c(Cl)nc(OC)nc1Cl.
What is the InChIKey of 5-butyl-4,6-dichloro-2-methoxypyrimidine?
The InChIKey is DLKKHXLIHHDNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2N2O/c1-3-4-5-6-7(10)12-9(14-2)13-8(6)11/h3-5H2,1-2H3.
What are the key properties of 5-butyl-4,6-dichloro-2-methoxypyrimidine?
5-butyl-4,6-dichloro-2-methoxypyrimidine has a molecular weight of 235.11 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-4,6-dichloro-2-methoxypyrimidine is sourced from PubChem (CID 88924762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).