N-ethyl-6-(3-fluoro-2-methylphenyl)-5-methylpyrimidin-4-amine

C14H16FN3 — CID 115503017

IUPACN-ethyl-6-(3-fluoro-2-methylphenyl)-5-methylpyrimidin-4-amine
SMILESCCNc1ncnc(-c2cccc(F)c2C)c1C
InChIInChI=1S/C14H16FN3/c1-4-16-14-10(3)13(17-8-18-14)11-6-5-7-12(15)9(11)2/h5-8H,4H2,1-3H3,(H,16,17,18)
InChIKeyOZBWZFVIYBGIPR-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.33
Rot. Bonds3

About N-ethyl-6-(3-fluoro-2-methylphenyl)-5-methylpyrimidin-4-amine

N-ethyl-6-(3-fluoro-2-methylphenyl)-5-methylpyrimidin-4-amine (PubChem CID 115503017) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is N-ethyl-6-(3-fluoro-2-methylphenyl)-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(3-fluoro-2-methylphenyl)-5-methylpyrimidin-4-amine
PubChem CID115503017
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC NameN-ethyl-6-(3-fluoro-2-methylphenyl)-5-methylpyrimidin-4-amine
SMILESCCNc1ncnc(-c2cccc(F)c2C)c1C
InChIInChI=1S/C14H16FN3/c1-4-16-14-10(3)13(17-8-18-14)11-6-5-7-12(15)9(11)2/h5-8H,4H2,1-3H3,(H,16,17,18)
InChIKeyOZBWZFVIYBGIPR-UHFFFAOYSA-N
XLogP3.33
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-(3-fluoro-2-methylphenyl)-5-methylpyrimidine
CID 115502906
6-(3-fluoro-2-methylphenyl)-5-methoxy-N-methylpyrimidin-4-amine
CID 115502976
4-chloro-5-ethyl-6-(3-fluoro-2-methylphenyl)pyrimidine
CID 115502928
6-(3-bromo-2-fluorophenyl)-N,5-diethylpyrimidin-4-amine
CID 106646886
(1R)-2-[[6-[3-fluoro-2-(trifluoromethyl)phenyl]-5-methylpyrimidin-4-yl]amino]-1-phenylethanol
CID 68640974
2-[6-(ethylamino)-5-methylpyrimidin-4-yl]oxy-6-fluorobenzonitrile
CID 80875391
6-(3-fluoro-2-methylphenyl)-4,5-dimethyl-N-propylpyridazin-3-amine
CID 115503020
6-(5-bromo-2-fluorophenyl)-5-methyl-N-propylpyrimidin-4-amine
CID 79742436
N-ethyl-6-(2-fluoro-3-methoxyphenyl)-5-propylpyrimidin-4-amine
CID 82793042
N-ethyl-5-methyl-6-(7-methyl-1-benzofuran-2-yl)pyrimidin-4-amine
CID 114734672
6-N-ethyl-5-methyl-4-N-naphthalen-1-ylpyrimidine-4,6-diamine
CID 80768828
N-ethyl-6-(3-fluoro-2-methylphenyl)-5-nitropyridin-2-amine
CID 115503043

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(3-fluoro-2-methylphenyl)-5-methylpyrimidin-4-amine?
The IUPAC name of N-ethyl-6-(3-fluoro-2-methylphenyl)-5-methylpyrimidin-4-amine (CID 115503017) is N-ethyl-6-(3-fluoro-2-methylphenyl)-5-methylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-(3-fluoro-2-methylphenyl)-5-methylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-(3-fluoro-2-methylphenyl)-5-methylpyrimidin-4-amine is CCNc1ncnc(-c2cccc(F)c2C)c1C.
What is the InChIKey of N-ethyl-6-(3-fluoro-2-methylphenyl)-5-methylpyrimidin-4-amine?
The InChIKey is OZBWZFVIYBGIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c1-4-16-14-10(3)13(17-8-18-14)11-6-5-7-12(15)9(11)2/h5-8H,4H2,1-3H3,(H,16,17,18).
What are the key properties of N-ethyl-6-(3-fluoro-2-methylphenyl)-5-methylpyrimidin-4-amine?
N-ethyl-6-(3-fluoro-2-methylphenyl)-5-methylpyrimidin-4-amine has a molecular weight of 245.30 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(3-fluoro-2-methylphenyl)-5-methylpyrimidin-4-amine is sourced from PubChem (CID 115503017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).