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

C17H22FN3 — CID 80978174

IUPAC2-ethyl-6-(4-fluoro-3-methylphenyl)-5-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(CC)nc(-c2ccc(F)c(C)c2)c1C
InChIInChI=1S/C17H22FN3/c1-5-9-19-17-12(4)16(20-15(6-2)21-17)13-7-8-14(18)11(3)10-13/h7-8,10H,5-6,9H2,1-4H3,(H,19,20,21)
InChIKeyANSBMRKMRJCESU-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.28
Rot. Bonds5

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

2-ethyl-6-(4-fluoro-3-methylphenyl)-5-methyl-N-propylpyrimidin-4-amine (PubChem CID 80978174) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is 2-ethyl-6-(4-fluoro-3-methylphenyl)-5-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-6-(4-fluoro-3-methylphenyl)-5-methyl-N-propylpyrimidin-4-amine
PubChem CID80978174
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC Name2-ethyl-6-(4-fluoro-3-methylphenyl)-5-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(CC)nc(-c2ccc(F)c(C)c2)c1C
InChIInChI=1S/C17H22FN3/c1-5-9-19-17-12(4)16(20-15(6-2)21-17)13-7-8-14(18)11(3)10-13/h7-8,10H,5-6,9H2,1-4H3,(H,19,20,21)
InChIKeyANSBMRKMRJCESU-UHFFFAOYSA-N
XLogP4.28
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-6-(3-fluoro-4-methylphenyl)-5-methyl-N-propylpyrimidin-4-amine
CID 115502692
N,2-diethyl-6-(3-fluoro-4-methylphenyl)-5-methylpyrimidin-4-amine
CID 115502727
2-ethyl-5-methyl-6-(3-methylphenyl)-N-propylpyrimidin-4-amine
CID 80975147
2-ethyl-6-(2-fluorophenyl)-5-methyl-N-propylpyrimidin-4-amine
CID 80975172
6-(2,5-dimethylphenyl)-2-ethyl-5-methyl-N-propylpyrimidin-4-amine
CID 80977653
6-(4-fluorophenyl)-5-methyl-N,2-dipropylpyrimidin-4-amine
CID 80977523
6-(4-chlorophenyl)-5-methyl-N,2-dipropylpyrimidin-4-amine
CID 80969852
6-(2,6-difluoro-3-methylphenyl)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 82804428
6-(3-chloro-4-methylphenyl)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 115504238
6-(2,3-difluoro-4-methylphenyl)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 107514529
6-N,2-diethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine
CID 80980725
2-ethyl-5-methyl-4-N-(4-methylphenyl)-6-N-propylpyrimidine-4,6-diamine
CID 80980584

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(4-fluoro-3-methylphenyl)-5-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 2-ethyl-6-(4-fluoro-3-methylphenyl)-5-methyl-N-propylpyrimidin-4-amine (CID 80978174) is 2-ethyl-6-(4-fluoro-3-methylphenyl)-5-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-6-(4-fluoro-3-methylphenyl)-5-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-ethyl-6-(4-fluoro-3-methylphenyl)-5-methyl-N-propylpyrimidin-4-amine is CCCNc1nc(CC)nc(-c2ccc(F)c(C)c2)c1C.
What is the InChIKey of 2-ethyl-6-(4-fluoro-3-methylphenyl)-5-methyl-N-propylpyrimidin-4-amine?
The InChIKey is ANSBMRKMRJCESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c1-5-9-19-17-12(4)16(20-15(6-2)21-17)13-7-8-14(18)11(3)10-13/h7-8,10H,5-6,9H2,1-4H3,(H,19,20,21).
What are the key properties of 2-ethyl-6-(4-fluoro-3-methylphenyl)-5-methyl-N-propylpyrimidin-4-amine?
2-ethyl-6-(4-fluoro-3-methylphenyl)-5-methyl-N-propylpyrimidin-4-amine has a molecular weight of 287.38 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(4-fluoro-3-methylphenyl)-5-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80978174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).