3-[2-[(3-fluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-2-methylpropan-1-amine

C17H22FN3 — CID 65294050

IUPAC3-[2-[(3-fluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-2-methylpropan-1-amine
SMILESCc1nc(Cc2cccc(F)c2)nc(C)c1CC(C)CN
InChIInChI=1S/C17H22FN3/c1-11(10-19)7-16-12(2)20-17(21-13(16)3)9-14-5-4-6-15(18)8-14/h4-6,8,11H,7,9-10,19H2,1-3H3
InChIKeyKFSLXRSJAXWHBN-UHFFFAOYSA-N
MW287.38 g/mol
LogP2.96
Rot. Bonds5

About 3-[2-[(3-fluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-2-methylpropan-1-amine

3-[2-[(3-fluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-2-methylpropan-1-amine (PubChem CID 65294050) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is 3-[2-[(3-fluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-[2-[(3-fluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-2-methylpropan-1-amine
PubChem CID65294050
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC Name3-[2-[(3-fluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-2-methylpropan-1-amine
SMILESCc1nc(Cc2cccc(F)c2)nc(C)c1CC(C)CN
InChIInChI=1S/C17H22FN3/c1-11(10-19)7-16-12(2)20-17(21-13(16)3)9-14-5-4-6-15(18)8-14/h4-6,8,11H,7,9-10,19H2,1-3H3
InChIKeyKFSLXRSJAXWHBN-UHFFFAOYSA-N
XLogP2.96
TPSA51.80 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 ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-[(3-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine
CID 66306858
2-[(3-fluorophenyl)methyl]-4,6-dimethylpyrimidine-5-carboxylic acid
CID 62746115
2-[(3-fluorophenyl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 66300915
2-[4,6-diethyl-2-[(3-fluorophenyl)methyl]pyrimidin-5-yl]ethanamine
CID 79219136
[2-[(3-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]hydrazine
CID 62251604
3-(3-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 83977396
1-[2-[(3-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 61289018
6-tert-butyl-2-[(3-fluorophenyl)methyl]pyrimidin-4-amine
CID 62192622
2-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 62529987
N'-[2-(3-fluorophenyl)ethyl]-N',2-dimethylpropane-1,3-diamine
CID 115198892
3-(3-fluorophenyl)-2-(2,4,6-trimethylphenyl)propan-1-amine
CID 82140480
[2-[(3-fluorophenyl)methyl]-1H-imidazol-5-yl]methanamine
CID 63108978

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3-fluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-2-methylpropan-1-amine?
The IUPAC name of 3-[2-[(3-fluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-2-methylpropan-1-amine (CID 65294050) is 3-[2-[(3-fluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 3-[2-[(3-fluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-2-methylpropan-1-amine?
The canonical SMILES for 3-[2-[(3-fluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-2-methylpropan-1-amine is Cc1nc(Cc2cccc(F)c2)nc(C)c1CC(C)CN.
What is the InChIKey of 3-[2-[(3-fluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-2-methylpropan-1-amine?
The InChIKey is KFSLXRSJAXWHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c1-11(10-19)7-16-12(2)20-17(21-13(16)3)9-14-5-4-6-15(18)8-14/h4-6,8,11H,7,9-10,19H2,1-3H3.
What are the key properties of 3-[2-[(3-fluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-2-methylpropan-1-amine?
3-[2-[(3-fluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-2-methylpropan-1-amine has a molecular weight of 287.38 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3-fluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 65294050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).