6-(2,4-difluorophenoxy)-N-methylpyrimidin-4-amine

C11H9F2N3O — CID 80862951

IUPAC6-(2,4-difluorophenoxy)-N-methylpyrimidin-4-amine
SMILESCNc1cc(Oc2ccc(F)cc2F)ncn1
InChIInChI=1S/C11H9F2N3O/c1-14-10-5-11(16-6-15-10)17-9-3-2-7(12)4-8(9)13/h2-6H,1H3,(H,14,15,16)
InChIKeyOKXALRPQRJJQHS-UHFFFAOYSA-N
MW237.21 g/mol
LogP2.59
Rot. Bonds3

About 6-(2,4-difluorophenoxy)-N-methylpyrimidin-4-amine

6-(2,4-difluorophenoxy)-N-methylpyrimidin-4-amine (PubChem CID 80862951) has the molecular formula C11H9F2N3O and a molecular weight of 237.21 g/mol. Its IUPAC name is 6-(2,4-difluorophenoxy)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,4-difluorophenoxy)-N-methylpyrimidin-4-amine
PubChem CID80862951
Molecular FormulaC11H9F2N3O
Molecular Weight237.21 g/mol
Exact Mass237.07
IUPAC Name6-(2,4-difluorophenoxy)-N-methylpyrimidin-4-amine
SMILESCNc1cc(Oc2ccc(F)cc2F)ncn1
InChIInChI=1S/C11H9F2N3O/c1-14-10-5-11(16-6-15-10)17-9-3-2-7(12)4-8(9)13/h2-6H,1H3,(H,14,15,16)
InChIKeyOKXALRPQRJJQHS-UHFFFAOYSA-N
XLogP2.59
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,4-difluorophenoxy)-N-ethylpyrimidin-4-amine
CID 80862793
6-(2-bromophenoxy)-N-methylpyrimidin-4-amine
CID 80859646
6-(2,3-dimethylphenoxy)-N-methylpyrimidin-4-amine
CID 80864261
N-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-amine
CID 80882478
6-(2-bromo-4-methylphenoxy)-N-methylpyrimidin-4-amine
CID 80860088
2-[6-(methylamino)pyrimidin-4-yl]oxybenzonitrile
CID 80863385
6-(3-bromo-4-fluorophenoxy)-N-methylpyrimidin-4-amine
CID 83236952
6-(4-chlorophenoxy)-N-methylpyrimidin-4-amine
CID 80864046
6-(4-bromo-5-fluoro-2-nitrophenoxy)-N-methylpyrimidin-4-amine
CID 103484542
1-[6-(2,4-difluorophenoxy)pyrimidin-4-yl]azepane
CID 83289257
6-(4-bromo-2-fluorophenoxy)-N-propylpyrimidin-4-amine
CID 80881442
5-bromo-2-(2,4-difluorophenoxy)-4-methylpyridine
CID 114870597

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluorophenoxy)-N-methylpyrimidin-4-amine?
The IUPAC name of 6-(2,4-difluorophenoxy)-N-methylpyrimidin-4-amine (CID 80862951) is 6-(2,4-difluorophenoxy)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,4-difluorophenoxy)-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-(2,4-difluorophenoxy)-N-methylpyrimidin-4-amine is CNc1cc(Oc2ccc(F)cc2F)ncn1.
What is the InChIKey of 6-(2,4-difluorophenoxy)-N-methylpyrimidin-4-amine?
The InChIKey is OKXALRPQRJJQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3O/c1-14-10-5-11(16-6-15-10)17-9-3-2-7(12)4-8(9)13/h2-6H,1H3,(H,14,15,16).
What are the key properties of 6-(2,4-difluorophenoxy)-N-methylpyrimidin-4-amine?
6-(2,4-difluorophenoxy)-N-methylpyrimidin-4-amine has a molecular weight of 237.21 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluorophenoxy)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 80862951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).