2-[(3-fluoro-4-methylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine

C14H16FN3O — CID 107170521

IUPAC2-[(3-fluoro-4-methylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
SMILESCNc1cc(C)nc(COc2ccc(C)c(F)c2)n1
InChIInChI=1S/C14H16FN3O/c1-9-4-5-11(7-12(9)15)19-8-14-17-10(2)6-13(16-3)18-14/h4-7H,8H2,1-3H3,(H,16,17,18)
InChIKeyQPSSNWRYNNONCF-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.85
Rot. Bonds4

About 2-[(3-fluoro-4-methylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine

2-[(3-fluoro-4-methylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine (PubChem CID 107170521) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 2-[(3-fluoro-4-methylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3-fluoro-4-methylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
PubChem CID107170521
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name2-[(3-fluoro-4-methylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
SMILESCNc1cc(C)nc(COc2ccc(C)c(F)c2)n1
InChIInChI=1S/C14H16FN3O/c1-9-4-5-11(7-12(9)15)19-8-14-17-10(2)6-13(16-3)18-14/h4-7H,8H2,1-3H3,(H,16,17,18)
InChIKeyQPSSNWRYNNONCF-UHFFFAOYSA-N
XLogP2.85
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(3-fluoro-4-methylphenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine
CID 107170574
2-[(5-fluoro-2-methylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 102984950
2-[(2-fluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 80654842
N,6-dimethyl-2-[(4-propan-2-ylphenoxy)methyl]pyrimidin-4-amine
CID 80654917
2-[(2,4-difluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 80654762
[2-[(3-bromo-4-fluorophenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine
CID 83234575
2-[(3-tert-butylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 80663360
2-[(2,3-difluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 80655015
2-[(3,5-dichlorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 80653912
2-[(3-chloro-4-fluorophenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 80664925
3-[(3-fluoro-4-methylphenoxy)methyl]-5-methyl-1H-1,2,4-triazole
CID 142157841
N,6-dimethyl-2-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrimidin-4-amine
CID 80664311

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-4-methylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-[(3-fluoro-4-methylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine (CID 107170521) is 2-[(3-fluoro-4-methylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-[(3-fluoro-4-methylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-[(3-fluoro-4-methylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine is CNc1cc(C)nc(COc2ccc(C)c(F)c2)n1.
What is the InChIKey of 2-[(3-fluoro-4-methylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine?
The InChIKey is QPSSNWRYNNONCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-9-4-5-11(7-12(9)15)19-8-14-17-10(2)6-13(16-3)18-14/h4-7H,8H2,1-3H3,(H,16,17,18).
What are the key properties of 2-[(3-fluoro-4-methylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine?
2-[(3-fluoro-4-methylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine has a molecular weight of 261.30 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-4-methylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 107170521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).