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

C9H12Cl2N2O — CID 118940482

IUPAC2-butoxy-4,6-dichloro-5-methylpyrimidine
SMILESCCCCOc1nc(Cl)c(C)c(Cl)n1
InChIInChI=1S/C9H12Cl2N2O/c1-3-4-5-14-9-12-7(10)6(2)8(11)13-9/h3-5H2,1-2H3
InChIKeyUJYHVHDNFZKVHF-UHFFFAOYSA-N
MW235.11 g/mol
LogP3.27
Rot. Bonds4

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

2-butoxy-4,6-dichloro-5-methylpyrimidine (PubChem CID 118940482) has the molecular formula C9H12Cl2N2O and a molecular weight of 235.11 g/mol. Its IUPAC name is 2-butoxy-4,6-dichloro-5-methylpyrimidine.

Molecular Properties

Compound Name2-butoxy-4,6-dichloro-5-methylpyrimidine
PubChem CID118940482
Molecular FormulaC9H12Cl2N2O
Molecular Weight235.11 g/mol
Exact Mass234.03
IUPAC Name2-butoxy-4,6-dichloro-5-methylpyrimidine
SMILESCCCCOc1nc(Cl)c(C)c(Cl)n1
InChIInChI=1S/C9H12Cl2N2O/c1-3-4-5-14-9-12-7(10)6(2)8(11)13-9/h3-5H2,1-2H3
InChIKeyUJYHVHDNFZKVHF-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4,6-dioctadecoxy-1,3,5-triazine
CID 14236381
2-butoxy-6-chloro-5-nitropyrimidin-4-amine
CID 118939933
2-(4-butoxyphenyl)-4-chloro-5,6-dimethylpyrimidine
CID 82168908
4,6-dichloro-5-methyl-2-(4-propoxyphenyl)pyrimidine
CID 63612833
2-chloro-4-ethoxy-6-hexoxy-1,3,5-triazine
CID 62857023
4-chloro-2-ethyl-6-hexoxy-5-methylpyrimidine
CID 80973551
2-chloro-4-heptoxy-6-methoxy-1,3,5-triazine
CID 62857809
4-chloro-6-hexoxy-1,3,5-triazin-2-amine
CID 80861147
2-butoxy-6-methylpyrimidine-4-carbonitrile
CID 107545811
4-chloro-N-methyl-6-pentoxy-1,3,5-triazin-2-amine
CID 80866765
2-butoxy-4-(3-iodobutoxy)-6-(4-methylpentoxy)-1,3,5-triazine
CID 156523376
3-[[4-butoxy-6-(3-sulfonatopropoxy)-1,3,5-triazin-2-yl]oxy]propane-1-sulfonate
CID 20821804

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-4,6-dichloro-5-methylpyrimidine?
The IUPAC name of 2-butoxy-4,6-dichloro-5-methylpyrimidine (CID 118940482) is 2-butoxy-4,6-dichloro-5-methylpyrimidine.
What is the SMILES notation for 2-butoxy-4,6-dichloro-5-methylpyrimidine?
The canonical SMILES for 2-butoxy-4,6-dichloro-5-methylpyrimidine is CCCCOc1nc(Cl)c(C)c(Cl)n1.
What is the InChIKey of 2-butoxy-4,6-dichloro-5-methylpyrimidine?
The InChIKey is UJYHVHDNFZKVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2N2O/c1-3-4-5-14-9-12-7(10)6(2)8(11)13-9/h3-5H2,1-2H3.
What are the key properties of 2-butoxy-4,6-dichloro-5-methylpyrimidine?
2-butoxy-4,6-dichloro-5-methylpyrimidine has a molecular weight of 235.11 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-4,6-dichloro-5-methylpyrimidine is sourced from PubChem (CID 118940482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).