N-ethyl-6-fluoro-N-naphthalen-1-ylpyrimidin-4-amine

C16H14FN3 — CID 115416248

IUPACN-ethyl-6-fluoro-N-naphthalen-1-ylpyrimidin-4-amine
SMILESCCN(c1cc(F)ncn1)c1cccc2ccccc12
InChIInChI=1S/C16H14FN3/c1-2-20(16-10-15(17)18-11-19-16)14-9-5-7-12-6-3-4-8-13(12)14/h3-11H,2H2,1H3
InChIKeySMXFOVGAXXRIJV-UHFFFAOYSA-N
MW267.31 g/mol
LogP3.93
Rot. Bonds3

About N-ethyl-6-fluoro-N-naphthalen-1-ylpyrimidin-4-amine

N-ethyl-6-fluoro-N-naphthalen-1-ylpyrimidin-4-amine (PubChem CID 115416248) has the molecular formula C16H14FN3 and a molecular weight of 267.31 g/mol. Its IUPAC name is N-ethyl-6-fluoro-N-naphthalen-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-fluoro-N-naphthalen-1-ylpyrimidin-4-amine
PubChem CID115416248
Molecular FormulaC16H14FN3
Molecular Weight267.31 g/mol
Exact Mass267.12
IUPAC NameN-ethyl-6-fluoro-N-naphthalen-1-ylpyrimidin-4-amine
SMILESCCN(c1cc(F)ncn1)c1cccc2ccccc12
InChIInChI=1S/C16H14FN3/c1-2-20(16-10-15(17)18-11-19-16)14-9-5-7-12-6-3-4-8-13(12)14/h3-11H,2H2,1H3
InChIKeySMXFOVGAXXRIJV-UHFFFAOYSA-N
XLogP3.93
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-ethyl-6-N-methyl-4-N-naphthalen-1-ylpyrimidine-4,6-diamine
CID 80756513
5-bromo-N-ethyl-4-methyl-N-naphthalen-1-ylpyridin-2-amine
CID 114870225
2-chloro-N-ethyl-N-naphthalen-1-ylpyrimidin-4-amine
CID 62338500
1-N-ethyl-2-fluoro-1-N-naphthalen-1-ylbenzene-1,4-diamine
CID 28972599
N-ethyl-N-(2-fluorophenyl)-6-hydrazinylpyrimidin-4-amine
CID 80908328
N-ethyl-N-phenylnaphthalen-1-amine;methane
CID 143268632
2-N-ethyl-2-N-naphthalen-1-ylpyrimidine-2,4-diamine
CID 116796277
5-bromo-N-ethyl-N-naphthalen-1-ylpyrimidin-4-amine
CID 66341940
4-N-ethyl-6-N-methyl-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine
CID 22545734
2-N-ethyl-6-N-methyl-2-N-naphthalen-1-ylpyrazine-2,6-diamine
CID 80756634
6-ethoxy-N-ethyl-N-naphthalen-1-yl-5-nitropyrimidin-4-amine
CID 23484492
4-N-ethyl-6-(4-methylphenyl)sulfanyl-4-N-naphthalen-1-ylpyrimidine-4,5-diamine
CID 22545836

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-fluoro-N-naphthalen-1-ylpyrimidin-4-amine?
The IUPAC name of N-ethyl-6-fluoro-N-naphthalen-1-ylpyrimidin-4-amine (CID 115416248) is N-ethyl-6-fluoro-N-naphthalen-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-fluoro-N-naphthalen-1-ylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-fluoro-N-naphthalen-1-ylpyrimidin-4-amine is CCN(c1cc(F)ncn1)c1cccc2ccccc12.
What is the InChIKey of N-ethyl-6-fluoro-N-naphthalen-1-ylpyrimidin-4-amine?
The InChIKey is SMXFOVGAXXRIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3/c1-2-20(16-10-15(17)18-11-19-16)14-9-5-7-12-6-3-4-8-13(12)14/h3-11H,2H2,1H3.
What are the key properties of N-ethyl-6-fluoro-N-naphthalen-1-ylpyrimidin-4-amine?
N-ethyl-6-fluoro-N-naphthalen-1-ylpyrimidin-4-amine has a molecular weight of 267.31 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-fluoro-N-naphthalen-1-ylpyrimidin-4-amine is sourced from PubChem (CID 115416248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).