4-chloro-2-methyl-6-(4-methylpentoxy)pyrimidine

C11H17ClN2O — CID 62481699

IUPAC4-chloro-2-methyl-6-(4-methylpentoxy)pyrimidine
SMILESCc1nc(Cl)cc(OCCCC(C)C)n1
InChIInChI=1S/C11H17ClN2O/c1-8(2)5-4-6-15-11-7-10(12)13-9(3)14-11/h7-8H,4-6H2,1-3H3
InChIKeyUXWNAOXTLYUTGB-UHFFFAOYSA-N
MW228.72 g/mol
LogP3.25
Rot. Bonds5

About 4-chloro-2-methyl-6-(4-methylpentoxy)pyrimidine

4-chloro-2-methyl-6-(4-methylpentoxy)pyrimidine (PubChem CID 62481699) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is 4-chloro-2-methyl-6-(4-methylpentoxy)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-methyl-6-(4-methylpentoxy)pyrimidine
PubChem CID62481699
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name4-chloro-2-methyl-6-(4-methylpentoxy)pyrimidine
SMILESCc1nc(Cl)cc(OCCCC(C)C)n1
InChIInChI=1S/C11H17ClN2O/c1-8(2)5-4-6-15-11-7-10(12)13-9(3)14-11/h7-8H,4-6H2,1-3H3
InChIKeyUXWNAOXTLYUTGB-UHFFFAOYSA-N
XLogP3.25
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 53.25
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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-6-(4-methylpentoxy)pyrimidine?
The IUPAC name of 4-chloro-2-methyl-6-(4-methylpentoxy)pyrimidine (CID 62481699) is 4-chloro-2-methyl-6-(4-methylpentoxy)pyrimidine.
What is the SMILES notation for 4-chloro-2-methyl-6-(4-methylpentoxy)pyrimidine?
The canonical SMILES for 4-chloro-2-methyl-6-(4-methylpentoxy)pyrimidine is Cc1nc(Cl)cc(OCCCC(C)C)n1.
What is the InChIKey of 4-chloro-2-methyl-6-(4-methylpentoxy)pyrimidine?
The InChIKey is UXWNAOXTLYUTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O/c1-8(2)5-4-6-15-11-7-10(12)13-9(3)14-11/h7-8H,4-6H2,1-3H3.
What are the key properties of 4-chloro-2-methyl-6-(4-methylpentoxy)pyrimidine?
4-chloro-2-methyl-6-(4-methylpentoxy)pyrimidine has a molecular weight of 228.72 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-6-(4-methylpentoxy)pyrimidine is sourced from PubChem (CID 62481699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).