2-ethyl-6-(2-fluorophenyl)-5-methyl-N-propylpyrimidin-4-amine

C16H20FN3 — CID 80975172

IUPAC2-ethyl-6-(2-fluorophenyl)-5-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(CC)nc(-c2ccccc2F)c1C
InChIInChI=1S/C16H20FN3/c1-4-10-18-16-11(3)15(19-14(5-2)20-16)12-8-6-7-9-13(12)17/h6-9H,4-5,10H2,1-3H3,(H,18,19,20)
InChIKeyOPCZWDYBWXFZTG-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.98
Rot. Bonds5

About 2-ethyl-6-(2-fluorophenyl)-5-methyl-N-propylpyrimidin-4-amine

2-ethyl-6-(2-fluorophenyl)-5-methyl-N-propylpyrimidin-4-amine (PubChem CID 80975172) has the molecular formula C16H20FN3 and a molecular weight of 273.35 g/mol. Its IUPAC name is 2-ethyl-6-(2-fluorophenyl)-5-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-6-(2-fluorophenyl)-5-methyl-N-propylpyrimidin-4-amine
PubChem CID80975172
Molecular FormulaC16H20FN3
Molecular Weight273.35 g/mol
Exact Mass273.16
IUPAC Name2-ethyl-6-(2-fluorophenyl)-5-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(CC)nc(-c2ccccc2F)c1C
InChIInChI=1S/C16H20FN3/c1-4-10-18-16-11(3)15(19-14(5-2)20-16)12-8-6-7-9-13(12)17/h6-9H,4-5,10H2,1-3H3,(H,18,19,20)
InChIKeyOPCZWDYBWXFZTG-UHFFFAOYSA-N
XLogP3.98
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2,3-dichlorophenyl)-2-ethyl-5-methyl-N-propylpyrimidin-4-amine
CID 80970830
2-ethyl-6-(3-fluoro-4-methylphenyl)-5-methyl-N-propylpyrimidin-4-amine
CID 115502692
6-(2,5-dimethylphenyl)-2-ethyl-5-methyl-N-propylpyrimidin-4-amine
CID 80977653
2-ethyl-6-(4-fluoro-3-methylphenyl)-5-methyl-N-propylpyrimidin-4-amine
CID 80978174
2-ethyl-5-methyl-6-(3-methylphenyl)-N-propylpyrimidin-4-amine
CID 80975147
6-(2-chlorophenyl)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80975059
6-(2,3-difluoro-4-methylphenyl)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 107514529
2-ethyl-6-(2-fluorophenyl)-N-propylpyrimidin-4-amine
CID 80936849
2-ethyl-4-N-[2-(2-fluorophenyl)ethyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80982049
6-(2,6-difluoro-3-methylphenyl)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 82804428
6-N,2-diethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine
CID 80980725
6-(4-fluorophenyl)-5-methyl-N,2-dipropylpyrimidin-4-amine
CID 80977523

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(2-fluorophenyl)-5-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 2-ethyl-6-(2-fluorophenyl)-5-methyl-N-propylpyrimidin-4-amine (CID 80975172) is 2-ethyl-6-(2-fluorophenyl)-5-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-6-(2-fluorophenyl)-5-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-ethyl-6-(2-fluorophenyl)-5-methyl-N-propylpyrimidin-4-amine is CCCNc1nc(CC)nc(-c2ccccc2F)c1C.
What is the InChIKey of 2-ethyl-6-(2-fluorophenyl)-5-methyl-N-propylpyrimidin-4-amine?
The InChIKey is OPCZWDYBWXFZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3/c1-4-10-18-16-11(3)15(19-14(5-2)20-16)12-8-6-7-9-13(12)17/h6-9H,4-5,10H2,1-3H3,(H,18,19,20).
What are the key properties of 2-ethyl-6-(2-fluorophenyl)-5-methyl-N-propylpyrimidin-4-amine?
2-ethyl-6-(2-fluorophenyl)-5-methyl-N-propylpyrimidin-4-amine has a molecular weight of 273.35 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(2-fluorophenyl)-5-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80975172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).