2-[4,6-diethyl-2-[(3-fluorophenyl)methyl]pyrimidin-5-yl]ethanamine

C17H22FN3 — CID 79219136

IUPAC2-[4,6-diethyl-2-[(3-fluorophenyl)methyl]pyrimidin-5-yl]ethanamine
SMILESCCc1nc(Cc2cccc(F)c2)nc(CC)c1CCN
InChIInChI=1S/C17H22FN3/c1-3-15-14(8-9-19)16(4-2)21-17(20-15)11-12-6-5-7-13(18)10-12/h5-7,10H,3-4,8-9,11,19H2,1-2H3
InChIKeyVSFYNTSSHIOVEN-UHFFFAOYSA-N
MW287.38 g/mol
LogP2.83
Rot. Bonds6

About 2-[4,6-diethyl-2-[(3-fluorophenyl)methyl]pyrimidin-5-yl]ethanamine

2-[4,6-diethyl-2-[(3-fluorophenyl)methyl]pyrimidin-5-yl]ethanamine (PubChem CID 79219136) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is 2-[4,6-diethyl-2-[(3-fluorophenyl)methyl]pyrimidin-5-yl]ethanamine.

Molecular Properties

Compound Name2-[4,6-diethyl-2-[(3-fluorophenyl)methyl]pyrimidin-5-yl]ethanamine
PubChem CID79219136
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC Name2-[4,6-diethyl-2-[(3-fluorophenyl)methyl]pyrimidin-5-yl]ethanamine
SMILESCCc1nc(Cc2cccc(F)c2)nc(CC)c1CCN
InChIInChI=1S/C17H22FN3/c1-3-15-14(8-9-19)16(4-2)21-17(20-15)11-12-6-5-7-13(18)10-12/h5-7,10H,3-4,8-9,11,19H2,1-2H3
InChIKeyVSFYNTSSHIOVEN-UHFFFAOYSA-N
XLogP2.83
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N,6-diethyl-2-[(3-fluorophenyl)methyl]pyrimidin-4-amine
CID 66298662
3-[2-[(3-fluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-2-methylpropan-1-amine
CID 65294050
2-[(3-fluorophenyl)methyl]-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742588
2-[4,6-diethyl-2-(4-ethylphenyl)pyrimidin-5-yl]ethanamine
CID 79219938
2-[(3-fluorophenyl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 66300915
6-tert-butyl-2-[(3-fluorophenyl)methyl]pyrimidin-4-amine
CID 62192622
[2-[(3-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]hydrazine
CID 62251604
2-(3-fluorophenyl)ethanamine;undecan-1-amine
CID 158185766
6-ethyl-5-iodo-2-[(3-methylphenyl)methyl]pyrimidin-4-amine
CID 66299080
5-bromo-2-[(3-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine
CID 66306858
2-[(3,5-difluorophenyl)methyl]-6-ethyl-5-iodopyrimidin-4-amine
CID 66300055
2-[(3-chlorophenyl)methyl]-6-ethyl-5-iodopyrimidin-4-amine
CID 66298678

Frequently Asked Questions

What is the IUPAC name of 2-[4,6-diethyl-2-[(3-fluorophenyl)methyl]pyrimidin-5-yl]ethanamine?
The IUPAC name of 2-[4,6-diethyl-2-[(3-fluorophenyl)methyl]pyrimidin-5-yl]ethanamine (CID 79219136) is 2-[4,6-diethyl-2-[(3-fluorophenyl)methyl]pyrimidin-5-yl]ethanamine.
What is the SMILES notation for 2-[4,6-diethyl-2-[(3-fluorophenyl)methyl]pyrimidin-5-yl]ethanamine?
The canonical SMILES for 2-[4,6-diethyl-2-[(3-fluorophenyl)methyl]pyrimidin-5-yl]ethanamine is CCc1nc(Cc2cccc(F)c2)nc(CC)c1CCN.
What is the InChIKey of 2-[4,6-diethyl-2-[(3-fluorophenyl)methyl]pyrimidin-5-yl]ethanamine?
The InChIKey is VSFYNTSSHIOVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c1-3-15-14(8-9-19)16(4-2)21-17(20-15)11-12-6-5-7-13(18)10-12/h5-7,10H,3-4,8-9,11,19H2,1-2H3.
What are the key properties of 2-[4,6-diethyl-2-[(3-fluorophenyl)methyl]pyrimidin-5-yl]ethanamine?
2-[4,6-diethyl-2-[(3-fluorophenyl)methyl]pyrimidin-5-yl]ethanamine has a molecular weight of 287.38 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-diethyl-2-[(3-fluorophenyl)methyl]pyrimidin-5-yl]ethanamine is sourced from PubChem (CID 79219136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).