4-(4-chloro-3-fluorophenoxy)-N,6-dimethylpyrimidin-2-amine

C12H11ClFN3O — CID 82718901

IUPAC4-(4-chloro-3-fluorophenoxy)-N,6-dimethylpyrimidin-2-amine
SMILESCNc1nc(C)cc(Oc2ccc(Cl)c(F)c2)n1
InChIInChI=1S/C12H11ClFN3O/c1-7-5-11(17-12(15-2)16-7)18-8-3-4-9(13)10(14)6-8/h3-6H,1-2H3,(H,15,16,17)
InChIKeyVOWHTVFCXFCLLP-UHFFFAOYSA-N
MW267.69 g/mol
LogP3.41
Rot. Bonds3

About 4-(4-chloro-3-fluorophenoxy)-N,6-dimethylpyrimidin-2-amine

4-(4-chloro-3-fluorophenoxy)-N,6-dimethylpyrimidin-2-amine (PubChem CID 82718901) has the molecular formula C12H11ClFN3O and a molecular weight of 267.69 g/mol. Its IUPAC name is 4-(4-chloro-3-fluorophenoxy)-N,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-chloro-3-fluorophenoxy)-N,6-dimethylpyrimidin-2-amine
PubChem CID82718901
Molecular FormulaC12H11ClFN3O
Molecular Weight267.69 g/mol
Exact Mass267.06
IUPAC Name4-(4-chloro-3-fluorophenoxy)-N,6-dimethylpyrimidin-2-amine
SMILESCNc1nc(C)cc(Oc2ccc(Cl)c(F)c2)n1
InChIInChI=1S/C12H11ClFN3O/c1-7-5-11(17-12(15-2)16-7)18-8-3-4-9(13)10(14)6-8/h3-6H,1-2H3,(H,15,16,17)
InChIKeyVOWHTVFCXFCLLP-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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Related Compounds

4-(3,5-difluorophenoxy)-N,6-dimethylpyrimidin-2-amine
CID 80879463
4-(4-bromophenoxy)-N,6-dimethylpyrimidin-2-amine
CID 80864197
4-(6-bromonaphthalen-2-yl)oxy-N,6-dimethylpyrimidin-2-amine
CID 80865760
6-(4-chloro-3-fluorophenoxy)-4-N-methylpyrimidine-2,4-diamine
CID 82717617
4-(3-ethoxyphenoxy)-N,6-dimethylpyrimidin-2-amine
CID 80873590
4-[6-methyl-2-(methylamino)pyrimidin-4-yl]oxybenzamide
CID 80882151
4-(4-chloro-3-methylphenoxy)-6-methyl-N-propylpyrimidin-2-amine
CID 80865774
6-(4-chloro-3-fluorophenoxy)-N-ethyl-2-methylpyrimidin-4-amine
CID 82718288
4-(3,4-difluorophenoxy)-6-methylpyrimidin-2-amine
CID 112724370
6-(3-chloro-4-fluorophenoxy)-N,2-dimethylpyrimidin-4-amine
CID 80876593
N,4-dimethyl-6-(2,3,6-trimethylphenoxy)pyrimidin-2-amine
CID 80875932
N,4-dimethyl-6-(1-methylpyrazol-4-yl)oxypyrimidin-2-amine
CID 116794381

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-fluorophenoxy)-N,6-dimethylpyrimidin-2-amine?
The IUPAC name of 4-(4-chloro-3-fluorophenoxy)-N,6-dimethylpyrimidin-2-amine (CID 82718901) is 4-(4-chloro-3-fluorophenoxy)-N,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-chloro-3-fluorophenoxy)-N,6-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-(4-chloro-3-fluorophenoxy)-N,6-dimethylpyrimidin-2-amine is CNc1nc(C)cc(Oc2ccc(Cl)c(F)c2)n1.
What is the InChIKey of 4-(4-chloro-3-fluorophenoxy)-N,6-dimethylpyrimidin-2-amine?
The InChIKey is VOWHTVFCXFCLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3O/c1-7-5-11(17-12(15-2)16-7)18-8-3-4-9(13)10(14)6-8/h3-6H,1-2H3,(H,15,16,17).
What are the key properties of 4-(4-chloro-3-fluorophenoxy)-N,6-dimethylpyrimidin-2-amine?
4-(4-chloro-3-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-(4-chloro-3-fluorophenoxy)-N,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 82718901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).