4-chloro-2,5-dimethyl-6-pentan-2-yloxypyrimidine

C11H17ClN2O — CID 102981563

IUPAC4-chloro-2,5-dimethyl-6-pentan-2-yloxypyrimidine
SMILESCCCC(C)Oc1nc(C)nc(Cl)c1C
InChIInChI=1S/C11H17ClN2O/c1-5-6-7(2)15-11-8(3)10(12)13-9(4)14-11/h7H,5-6H2,1-4H3
InChIKeyQJTGMTDHAXPELU-UHFFFAOYSA-N
MW228.72 g/mol
LogP3.31
Rot. Bonds4

About 4-chloro-2,5-dimethyl-6-pentan-2-yloxypyrimidine

4-chloro-2,5-dimethyl-6-pentan-2-yloxypyrimidine (PubChem CID 102981563) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is 4-chloro-2,5-dimethyl-6-pentan-2-yloxypyrimidine.

Molecular Properties

Compound Name4-chloro-2,5-dimethyl-6-pentan-2-yloxypyrimidine
PubChem CID102981563
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name4-chloro-2,5-dimethyl-6-pentan-2-yloxypyrimidine
SMILESCCCC(C)Oc1nc(C)nc(Cl)c1C
InChIInChI=1S/C11H17ClN2O/c1-5-6-7(2)15-11-8(3)10(12)13-9(4)14-11/h7H,5-6H2,1-4H3
InChIKeyQJTGMTDHAXPELU-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,5-dimethyl-6-pentan-2-yloxypyrimidine?
The IUPAC name of 4-chloro-2,5-dimethyl-6-pentan-2-yloxypyrimidine (CID 102981563) is 4-chloro-2,5-dimethyl-6-pentan-2-yloxypyrimidine.
What is the SMILES notation for 4-chloro-2,5-dimethyl-6-pentan-2-yloxypyrimidine?
The canonical SMILES for 4-chloro-2,5-dimethyl-6-pentan-2-yloxypyrimidine is CCCC(C)Oc1nc(C)nc(Cl)c1C.
What is the InChIKey of 4-chloro-2,5-dimethyl-6-pentan-2-yloxypyrimidine?
The InChIKey is QJTGMTDHAXPELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O/c1-5-6-7(2)15-11-8(3)10(12)13-9(4)14-11/h7H,5-6H2,1-4H3.
What are the key properties of 4-chloro-2,5-dimethyl-6-pentan-2-yloxypyrimidine?
4-chloro-2,5-dimethyl-6-pentan-2-yloxypyrimidine has a molecular weight of 228.72 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,5-dimethyl-6-pentan-2-yloxypyrimidine is sourced from PubChem (CID 102981563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).