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N-[2-(2-fluoro-6-methylphenyl)ethyl]-2-methoxy-6-methylpyrimidin-4-amine

C15H18FN3O — CID 143652214

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[2-(2-fluoro-6-methylphenyl)ethyl]-2-methoxy-6-methylpyrimidin-4-amine
SMILESCOc1nc(C)cc(NCCc2c(C)cccc2F)n1
InChIInChI=1S/C15H18FN3O/c1-10-5-4-6-13(16)12(10)7-8-17-14-9-11(2)18-15(19-14)20-3/h4-6,9H,7-8H2,1-3H3,(H,17,18,19)
InChIKeySTIXKJFCONVXIR-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.90
Rot. Bonds5

About N-[2-(2-fluoro-6-methylphenyl)ethyl]-2-methoxy-6-methylpyrimidin-4-amine

N-[2-(2-fluoro-6-methylphenyl)ethyl]-2-methoxy-6-methylpyrimidin-4-amine (PubChem CID 143652214) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is N-[2-(2-fluoro-6-methylphenyl)ethyl]-2-methoxy-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(2-fluoro-6-methylphenyl)ethyl]-2-methoxy-6-methylpyrimidin-4-amine
PubChem CID143652214
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC NameN-[2-(2-fluoro-6-methylphenyl)ethyl]-2-methoxy-6-methylpyrimidin-4-amine
SMILESCOc1nc(C)cc(NCCc2c(C)cccc2F)n1
InChIInChI=1S/C15H18FN3O/c1-10-5-4-6-13(16)12(10)7-8-17-14-9-11(2)18-15(19-14)20-3/h4-6,9H,7-8H2,1-3H3,(H,17,18,19)
InChIKeySTIXKJFCONVXIR-UHFFFAOYSA-N
XLogP2.90
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluoro-6-methylphenyl)ethyl]-2-methoxy-6-methylpyrimidin-4-amine?
The IUPAC name of N-[2-(2-fluoro-6-methylphenyl)ethyl]-2-methoxy-6-methylpyrimidin-4-amine (CID 143652214) is N-[2-(2-fluoro-6-methylphenyl)ethyl]-2-methoxy-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(2-fluoro-6-methylphenyl)ethyl]-2-methoxy-6-methylpyrimidin-4-amine?
The canonical SMILES for N-[2-(2-fluoro-6-methylphenyl)ethyl]-2-methoxy-6-methylpyrimidin-4-amine is COc1nc(C)cc(NCCc2c(C)cccc2F)n1.
What is the InChIKey of N-[2-(2-fluoro-6-methylphenyl)ethyl]-2-methoxy-6-methylpyrimidin-4-amine?
The InChIKey is STIXKJFCONVXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-10-5-4-6-13(16)12(10)7-8-17-14-9-11(2)18-15(19-14)20-3/h4-6,9H,7-8H2,1-3H3,(H,17,18,19).
What are the key properties of N-[2-(2-fluoro-6-methylphenyl)ethyl]-2-methoxy-6-methylpyrimidin-4-amine?
N-[2-(2-fluoro-6-methylphenyl)ethyl]-2-methoxy-6-methylpyrimidin-4-amine has a molecular weight of 275.33 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluoro-6-methylphenyl)ethyl]-2-methoxy-6-methylpyrimidin-4-amine is sourced from PubChem (CID 143652214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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