4-(2-chloro-4-fluorophenoxy)-N,6-dimethylpyrimidin-2-amine

C12H11ClFN3O — CID 80866631

IUPAC4-(2-chloro-4-fluorophenoxy)-N,6-dimethylpyrimidin-2-amine
SMILESCNc1nc(C)cc(Oc2ccc(F)cc2Cl)n1
InChIInChI=1S/C12H11ClFN3O/c1-7-5-11(17-12(15-2)16-7)18-10-4-3-8(14)6-9(10)13/h3-6H,1-2H3,(H,15,16,17)
InChIKeyULCJJZKXAHQHHF-UHFFFAOYSA-N
MW267.69 g/mol
LogP3.41
Rot. Bonds3

About 4-(2-chloro-4-fluorophenoxy)-N,6-dimethylpyrimidin-2-amine

4-(2-chloro-4-fluorophenoxy)-N,6-dimethylpyrimidin-2-amine (PubChem CID 80866631) has the molecular formula C12H11ClFN3O and a molecular weight of 267.69 g/mol. Its IUPAC name is 4-(2-chloro-4-fluorophenoxy)-N,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-chloro-4-fluorophenoxy)-N,6-dimethylpyrimidin-2-amine
PubChem CID80866631
Molecular FormulaC12H11ClFN3O
Molecular Weight267.69 g/mol
Exact Mass267.06
IUPAC Name4-(2-chloro-4-fluorophenoxy)-N,6-dimethylpyrimidin-2-amine
SMILESCNc1nc(C)cc(Oc2ccc(F)cc2Cl)n1
InChIInChI=1S/C12H11ClFN3O/c1-7-5-11(17-12(15-2)16-7)18-10-4-3-8(14)6-9(10)13/h3-6H,1-2H3,(H,15,16,17)
InChIKeyULCJJZKXAHQHHF-UHFFFAOYSA-N
XLogP3.41
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.69
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-fluorophenoxy)-N,6-dimethylpyrimidin-2-amine?
The IUPAC name of 4-(2-chloro-4-fluorophenoxy)-N,6-dimethylpyrimidin-2-amine (CID 80866631) is 4-(2-chloro-4-fluorophenoxy)-N,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-(2-chloro-4-fluorophenoxy)-N,6-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-(2-chloro-4-fluorophenoxy)-N,6-dimethylpyrimidin-2-amine is CNc1nc(C)cc(Oc2ccc(F)cc2Cl)n1.
What is the InChIKey of 4-(2-chloro-4-fluorophenoxy)-N,6-dimethylpyrimidin-2-amine?
The InChIKey is ULCJJZKXAHQHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3O/c1-7-5-11(17-12(15-2)16-7)18-10-4-3-8(14)6-9(10)13/h3-6H,1-2H3,(H,15,16,17).
What are the key properties of 4-(2-chloro-4-fluorophenoxy)-N,6-dimethylpyrimidin-2-amine?
4-(2-chloro-4-fluorophenoxy)-N,6-dimethylpyrimidin-2-amine has a molecular weight of 267.69 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-fluorophenoxy)-N,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 80866631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).