2-chloro-4-(2,2,3-trimethylbutoxy)pyrimidine

C11H17ClN2O — CID 59019628

IUPAC2-chloro-4-(2,2,3-trimethylbutoxy)pyrimidine
SMILESCC(C)C(C)(C)COc1ccnc(Cl)n1
InChIInChI=1S/C11H17ClN2O/c1-8(2)11(3,4)7-15-9-5-6-13-10(12)14-9/h5-6,8H,7H2,1-4H3
InChIKeyUYUAEPCLGVERCJ-UHFFFAOYSA-N
MW228.72 g/mol
LogP3.19
Rot. Bonds4

About 2-chloro-4-(2,2,3-trimethylbutoxy)pyrimidine

2-chloro-4-(2,2,3-trimethylbutoxy)pyrimidine (PubChem CID 59019628) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is 2-chloro-4-(2,2,3-trimethylbutoxy)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(2,2,3-trimethylbutoxy)pyrimidine
PubChem CID59019628
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name2-chloro-4-(2,2,3-trimethylbutoxy)pyrimidine
SMILESCC(C)C(C)(C)COc1ccnc(Cl)n1
InChIInChI=1S/C11H17ClN2O/c1-8(2)11(3,4)7-15-9-5-6-13-10(12)14-9/h5-6,8H,7H2,1-4H3
InChIKeyUYUAEPCLGVERCJ-UHFFFAOYSA-N
XLogP3.19
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2,2,3-trimethylbutoxy)pyrimidine?
The IUPAC name of 2-chloro-4-(2,2,3-trimethylbutoxy)pyrimidine (CID 59019628) is 2-chloro-4-(2,2,3-trimethylbutoxy)pyrimidine.
What is the SMILES notation for 2-chloro-4-(2,2,3-trimethylbutoxy)pyrimidine?
The canonical SMILES for 2-chloro-4-(2,2,3-trimethylbutoxy)pyrimidine is CC(C)C(C)(C)COc1ccnc(Cl)n1.
What is the InChIKey of 2-chloro-4-(2,2,3-trimethylbutoxy)pyrimidine?
The InChIKey is UYUAEPCLGVERCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O/c1-8(2)11(3,4)7-15-9-5-6-13-10(12)14-9/h5-6,8H,7H2,1-4H3.
What are the key properties of 2-chloro-4-(2,2,3-trimethylbutoxy)pyrimidine?
2-chloro-4-(2,2,3-trimethylbutoxy)pyrimidine has a molecular weight of 228.72 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2,2,3-trimethylbutoxy)pyrimidine is sourced from PubChem (CID 59019628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).