N-ethyl-2-(4-fluoro-2-methylphenyl)-5,6-dimethylpyrimidin-4-amine

C15H18FN3 — CID 81278021

IUPACN-ethyl-2-(4-fluoro-2-methylphenyl)-5,6-dimethylpyrimidin-4-amine
SMILESCCNc1nc(-c2ccc(F)cc2C)nc(C)c1C
InChIInChI=1S/C15H18FN3/c1-5-17-14-10(3)11(4)18-15(19-14)13-7-6-12(16)8-9(13)2/h6-8H,5H2,1-4H3,(H,17,18,19)
InChIKeyRYTRYVHNLYEJGW-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.64
Rot. Bonds3

About N-ethyl-2-(4-fluoro-2-methylphenyl)-5,6-dimethylpyrimidin-4-amine

N-ethyl-2-(4-fluoro-2-methylphenyl)-5,6-dimethylpyrimidin-4-amine (PubChem CID 81278021) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is N-ethyl-2-(4-fluoro-2-methylphenyl)-5,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-(4-fluoro-2-methylphenyl)-5,6-dimethylpyrimidin-4-amine
PubChem CID81278021
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC NameN-ethyl-2-(4-fluoro-2-methylphenyl)-5,6-dimethylpyrimidin-4-amine
SMILESCCNc1nc(-c2ccc(F)cc2C)nc(C)c1C
InChIInChI=1S/C15H18FN3/c1-5-17-14-10(3)11(4)18-15(19-14)13-7-6-12(16)8-9(13)2/h6-8H,5H2,1-4H3,(H,17,18,19)
InChIKeyRYTRYVHNLYEJGW-UHFFFAOYSA-N
XLogP3.64
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(4-fluoro-2-methylphenyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine
CID 81272931
N-ethyl-6-(4-fluoro-2-methylphenyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80977618
N-ethyl-5,6-dimethyl-2-naphthalen-1-ylpyrimidin-4-amine
CID 63486132
2-(2,5-dimethylthiophen-3-yl)-N-ethyl-5,6-dimethylpyrimidin-4-amine
CID 55045831
5-bromo-2-(4-bromo-2-methylphenyl)-N-ethyl-6-methylpyrimidin-4-amine
CID 103083781
2-(2-bromo-4-fluorophenyl)-N-ethyl-6-methyl-5-propan-2-ylpyrimidin-4-amine
CID 107281416
N-ethyl-5,6-dimethyl-2-(2-methylfuran-3-yl)pyrimidin-4-amine
CID 104790643
N-ethyl-5,6-dimethyl-2-(4-methylphenyl)pyrimidin-4-amine
CID 62192547
N-ethyl-5,6-dimethyl-2-quinolin-4-ylpyrimidin-4-amine
CID 63867940
4-[4-(ethylamino)-5,6-dimethylpyrimidin-2-yl]-2,6-dimethylphenol
CID 135978666
5-bromo-6-tert-butyl-2-(4-fluoro-2-methylphenyl)-N-methylpyrimidin-4-amine
CID 81274493
N,6-diethyl-2-(5-fluoro-2-methylphenyl)-5-iodopyrimidin-4-amine
CID 66298313

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-fluoro-2-methylphenyl)-5,6-dimethylpyrimidin-4-amine?
The IUPAC name of N-ethyl-2-(4-fluoro-2-methylphenyl)-5,6-dimethylpyrimidin-4-amine (CID 81278021) is N-ethyl-2-(4-fluoro-2-methylphenyl)-5,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-(4-fluoro-2-methylphenyl)-5,6-dimethylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-(4-fluoro-2-methylphenyl)-5,6-dimethylpyrimidin-4-amine is CCNc1nc(-c2ccc(F)cc2C)nc(C)c1C.
What is the InChIKey of N-ethyl-2-(4-fluoro-2-methylphenyl)-5,6-dimethylpyrimidin-4-amine?
The InChIKey is RYTRYVHNLYEJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c1-5-17-14-10(3)11(4)18-15(19-14)13-7-6-12(16)8-9(13)2/h6-8H,5H2,1-4H3,(H,17,18,19).
What are the key properties of N-ethyl-2-(4-fluoro-2-methylphenyl)-5,6-dimethylpyrimidin-4-amine?
N-ethyl-2-(4-fluoro-2-methylphenyl)-5,6-dimethylpyrimidin-4-amine has a molecular weight of 259.33 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-fluoro-2-methylphenyl)-5,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 81278021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).