N-ethyl-2-[2-(3-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine

C17H22FN3 — CID 62756007

IUPACN-ethyl-2-[2-(3-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
SMILESCCNCC(C)c1c(C)nc(-c2cccc(F)c2)nc1C
InChIInChI=1S/C17H22FN3/c1-5-19-10-11(2)16-12(3)20-17(21-13(16)4)14-7-6-8-15(18)9-14/h6-9,11,19H,5,10H2,1-4H3
InChIKeyLVQWYFLQRBDNHC-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.61
Rot. Bonds5

About N-ethyl-2-[2-(3-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine

N-ethyl-2-[2-(3-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine (PubChem CID 62756007) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is N-ethyl-2-[2-(3-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[2-(3-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
PubChem CID62756007
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC NameN-ethyl-2-[2-(3-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
SMILESCCNCC(C)c1c(C)nc(-c2cccc(F)c2)nc1C
InChIInChI=1S/C17H22FN3/c1-5-19-10-11(2)16-12(3)20-17(21-13(16)4)14-7-6-8-15(18)9-14/h6-9,11,19H,5,10H2,1-4H3
InChIKeyLVQWYFLQRBDNHC-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4,6-dimethyl-2-phenylpyrimidin-5-yl)-N-propylpropan-1-amine
CID 62757648
2,4-bis(3-fluorophenyl)-6-methyl-1,3,5-triazine
CID 134472353
N-ethyl-4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 55200693
N-[[5-(3-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]methyl]ethanamine
CID 114834505
N-[[4,6-dimethyl-2-(3-methylphenyl)pyrimidin-5-yl]methyl]ethanamine
CID 55113779
2-[2-(3,4-difluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 62745958
N-[[5-(3-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 114834516
2-butan-2-yl-5-(3-fluorophenyl)-4-methyl-1,3-thiazole
CID 90707689
2-[2-(4-ethylphenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 62745786
5-bromo-N,6-diethyl-2-(3-fluorophenyl)pyrimidin-4-amine
CID 66299647
2,4-bis(3-fluorophenyl)-6-methyl-5-nitropyrimidine
CID 72708586
N-ethyl-2-(3-fluorophenoxy)butan-1-amine
CID 62459043

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-(3-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine?
The IUPAC name of N-ethyl-2-[2-(3-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine (CID 62756007) is N-ethyl-2-[2-(3-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine.
What is the SMILES notation for N-ethyl-2-[2-(3-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine?
The canonical SMILES for N-ethyl-2-[2-(3-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine is CCNCC(C)c1c(C)nc(-c2cccc(F)c2)nc1C.
What is the InChIKey of N-ethyl-2-[2-(3-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine?
The InChIKey is LVQWYFLQRBDNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c1-5-19-10-11(2)16-12(3)20-17(21-13(16)4)14-7-6-8-15(18)9-14/h6-9,11,19H,5,10H2,1-4H3.
What are the key properties of N-ethyl-2-[2-(3-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine?
N-ethyl-2-[2-(3-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine has a molecular weight of 287.38 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-(3-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine is sourced from PubChem (CID 62756007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).