4-tert-butyl-6-chloro-2-(2-methoxyethyl)pyrimidine

C11H17ClN2O — CID 61412758

IUPAC4-tert-butyl-6-chloro-2-(2-methoxyethyl)pyrimidine
SMILESCOCCc1nc(Cl)cc(C(C)(C)C)n1
InChIInChI=1S/C11H17ClN2O/c1-11(2,3)8-7-9(12)14-10(13-8)5-6-15-4/h7H,5-6H2,1-4H3
InChIKeyVJDHXTAOECHTFK-UHFFFAOYSA-N
MW228.72 g/mol
LogP2.62
Rot. Bonds3

About 4-tert-butyl-6-chloro-2-(2-methoxyethyl)pyrimidine

4-tert-butyl-6-chloro-2-(2-methoxyethyl)pyrimidine (PubChem CID 61412758) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is 4-tert-butyl-6-chloro-2-(2-methoxyethyl)pyrimidine.

Molecular Properties

Compound Name4-tert-butyl-6-chloro-2-(2-methoxyethyl)pyrimidine
PubChem CID61412758
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name4-tert-butyl-6-chloro-2-(2-methoxyethyl)pyrimidine
SMILESCOCCc1nc(Cl)cc(C(C)(C)C)n1
InChIInChI=1S/C11H17ClN2O/c1-11(2,3)8-7-9(12)14-10(13-8)5-6-15-4/h7H,5-6H2,1-4H3
InChIKeyVJDHXTAOECHTFK-UHFFFAOYSA-N
XLogP2.62
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-chloro-2-(2-methoxyethyl)pyrimidine?
The IUPAC name of 4-tert-butyl-6-chloro-2-(2-methoxyethyl)pyrimidine (CID 61412758) is 4-tert-butyl-6-chloro-2-(2-methoxyethyl)pyrimidine.
What is the SMILES notation for 4-tert-butyl-6-chloro-2-(2-methoxyethyl)pyrimidine?
The canonical SMILES for 4-tert-butyl-6-chloro-2-(2-methoxyethyl)pyrimidine is COCCc1nc(Cl)cc(C(C)(C)C)n1.
What is the InChIKey of 4-tert-butyl-6-chloro-2-(2-methoxyethyl)pyrimidine?
The InChIKey is VJDHXTAOECHTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O/c1-11(2,3)8-7-9(12)14-10(13-8)5-6-15-4/h7H,5-6H2,1-4H3.
What are the key properties of 4-tert-butyl-6-chloro-2-(2-methoxyethyl)pyrimidine?
4-tert-butyl-6-chloro-2-(2-methoxyethyl)pyrimidine has a molecular weight of 228.72 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-chloro-2-(2-methoxyethyl)pyrimidine is sourced from PubChem (CID 61412758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).