4-chloro-2-methyl-6-[(6-methyl-3-pyridinyl)oxy]pyrimidine

C11H10ClN3O — CID 62481107

IUPAC4-chloro-2-methyl-6-[(6-methyl-3-pyridinyl)oxy]pyrimidine
SMILESCc1ccc(Oc2cc(Cl)nc(C)n2)cn1
InChIInChI=1S/C11H10ClN3O/c1-7-3-4-9(6-13-7)16-11-5-10(12)14-8(2)15-11/h3-6H,1-2H3
InChIKeyZQWHCJBBJOPUEG-UHFFFAOYSA-N
MW235.67 g/mol
LogP2.93
Rot. Bonds2

About 4-chloro-2-methyl-6-[(6-methyl-3-pyridinyl)oxy]pyrimidine

4-chloro-2-methyl-6-[(6-methyl-3-pyridinyl)oxy]pyrimidine (PubChem CID 62481107) has the molecular formula C11H10ClN3O and a molecular weight of 235.67 g/mol. Its IUPAC name is 4-chloro-2-methyl-6-[(6-methyl-3-pyridinyl)oxy]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-methyl-6-[(6-methyl-3-pyridinyl)oxy]pyrimidine
PubChem CID62481107
Molecular FormulaC11H10ClN3O
Molecular Weight235.67 g/mol
Exact Mass235.05
IUPAC Name4-chloro-2-methyl-6-[(6-methyl-3-pyridinyl)oxy]pyrimidine
SMILESCc1ccc(Oc2cc(Cl)nc(C)n2)cn1
InChIInChI=1S/C11H10ClN3O/c1-7-3-4-9(6-13-7)16-11-5-10(12)14-8(2)15-11/h3-6H,1-2H3
InChIKeyZQWHCJBBJOPUEG-UHFFFAOYSA-N
XLogP2.93
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-6-[(6-methyl-3-pyridinyl)oxy]pyrimidine?
The IUPAC name of 4-chloro-2-methyl-6-[(6-methyl-3-pyridinyl)oxy]pyrimidine (CID 62481107) is 4-chloro-2-methyl-6-[(6-methyl-3-pyridinyl)oxy]pyrimidine.
What is the SMILES notation for 4-chloro-2-methyl-6-[(6-methyl-3-pyridinyl)oxy]pyrimidine?
The canonical SMILES for 4-chloro-2-methyl-6-[(6-methyl-3-pyridinyl)oxy]pyrimidine is Cc1ccc(Oc2cc(Cl)nc(C)n2)cn1.
What is the InChIKey of 4-chloro-2-methyl-6-[(6-methyl-3-pyridinyl)oxy]pyrimidine?
The InChIKey is ZQWHCJBBJOPUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O/c1-7-3-4-9(6-13-7)16-11-5-10(12)14-8(2)15-11/h3-6H,1-2H3.
What are the key properties of 4-chloro-2-methyl-6-[(6-methyl-3-pyridinyl)oxy]pyrimidine?
4-chloro-2-methyl-6-[(6-methyl-3-pyridinyl)oxy]pyrimidine has a molecular weight of 235.67 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-6-[(6-methyl-3-pyridinyl)oxy]pyrimidine is sourced from PubChem (CID 62481107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).