4-(4-fluorophenoxy)-N-methylpyrimidin-2-amine

C11H10FN3O — CID 80869601

IUPAC4-(4-fluorophenoxy)-N-methylpyrimidin-2-amine
SMILESCNc1nccc(Oc2ccc(F)cc2)n1
InChIInChI=1S/C11H10FN3O/c1-13-11-14-7-6-10(15-11)16-9-4-2-8(12)3-5-9/h2-7H,1H3,(H,13,14,15)
InChIKeyHWTWELYKYLPHQP-UHFFFAOYSA-N
MW219.22 g/mol
LogP2.45
Rot. Bonds3

About 4-(4-fluorophenoxy)-N-methylpyrimidin-2-amine

4-(4-fluorophenoxy)-N-methylpyrimidin-2-amine (PubChem CID 80869601) has the molecular formula C11H10FN3O and a molecular weight of 219.22 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-fluorophenoxy)-N-methylpyrimidin-2-amine
PubChem CID80869601
Molecular FormulaC11H10FN3O
Molecular Weight219.22 g/mol
Exact Mass219.08
IUPAC Name4-(4-fluorophenoxy)-N-methylpyrimidin-2-amine
SMILESCNc1nccc(Oc2ccc(F)cc2)n1
InChIInChI=1S/C11H10FN3O/c1-13-11-14-7-6-10(15-11)16-9-4-2-8(12)3-5-9/h2-7H,1H3,(H,13,14,15)
InChIKeyHWTWELYKYLPHQP-UHFFFAOYSA-N
XLogP2.45
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-ethoxyphenoxy)-N-methylpyrimidin-2-amine
CID 80862377
N-methyl-4-(4-methylsulfonylphenoxy)pyrimidin-2-amine
CID 80874009
N-cyclopentyl-4-(4-fluorophenoxy)pyrimidin-2-amine
CID 56553610
4-(4-fluorophenoxy)-N-(1-methylsulfanylpropan-2-yl)pyrimidin-2-amine
CID 133311843
4-(4-fluorophenoxy)-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-2-amine
CID 56575483
4-(4-fluorophenoxy)-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-2-amine
CID 56553691
4-(2-methoxyphenoxy)-N-methylpyrimidin-2-amine
CID 80869209
N'-[4-(4-fluorophenoxy)pyrimidin-2-yl]-1-(4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 56553548
2-[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]-3-methylpentanamide
CID 133416657
4-(4-fluorophenoxy)-2-methylsulfonylpyrimidine
CID 141073183
4-(4-fluorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-2-amine
CID 56575580
4-(4-fluorophenoxy)-N-[4-(2-methylsulfonylethyl)phenyl]pyrimidin-2-amine
CID 133398012

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)-N-methylpyrimidin-2-amine?
The IUPAC name of 4-(4-fluorophenoxy)-N-methylpyrimidin-2-amine (CID 80869601) is 4-(4-fluorophenoxy)-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-fluorophenoxy)-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-(4-fluorophenoxy)-N-methylpyrimidin-2-amine is CNc1nccc(Oc2ccc(F)cc2)n1.
What is the InChIKey of 4-(4-fluorophenoxy)-N-methylpyrimidin-2-amine?
The InChIKey is HWTWELYKYLPHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O/c1-13-11-14-7-6-10(15-11)16-9-4-2-8(12)3-5-9/h2-7H,1H3,(H,13,14,15).
What are the key properties of 4-(4-fluorophenoxy)-N-methylpyrimidin-2-amine?
4-(4-fluorophenoxy)-N-methylpyrimidin-2-amine has a molecular weight of 219.22 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)-N-methylpyrimidin-2-amine is sourced from PubChem (CID 80869601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).