N-[(3-fluoro-5-methylphenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine

C15H18FN3O — CID 102951759

IUPACN-[(3-fluoro-5-methylphenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine
SMILESCCNC(c1cc(C)cc(F)c1)c1cc(OC)ncn1
InChIInChI=1S/C15H18FN3O/c1-4-17-15(11-5-10(2)6-12(16)7-11)13-8-14(20-3)19-9-18-13/h5-9,15,17H,4H2,1-3H3
InChIKeyFABPCXQEZIGJOM-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.63
Rot. Bonds5

About N-[(3-fluoro-5-methylphenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine

N-[(3-fluoro-5-methylphenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine (PubChem CID 102951759) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is N-[(3-fluoro-5-methylphenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-fluoro-5-methylphenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine
PubChem CID102951759
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC NameN-[(3-fluoro-5-methylphenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine
SMILESCCNC(c1cc(C)cc(F)c1)c1cc(OC)ncn1
InChIInChI=1S/C15H18FN3O/c1-4-17-15(11-5-10(2)6-12(16)7-11)13-8-14(20-3)19-9-18-13/h5-9,15,17H,4H2,1-3H3
InChIKeyFABPCXQEZIGJOM-UHFFFAOYSA-N
XLogP2.63
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-fluoro-4-methoxyphenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine
CID 102951792
N-[(4-fluorophenyl)-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine
CID 102952263
N-[(2-fluoro-3-methoxyphenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine
CID 102951729
N-[(3-fluoro-5-methylphenyl)-(1H-1,2,4-triazol-5-yl)methyl]ethanamine
CID 79704367
N-ethyl-1-(6-methoxypyrimidin-4-yl)propan-1-amine
CID 102951537
N-[(2,6-dimethyl-4-pyridinyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine
CID 107503885
N-[furan-2-yl-(6-methoxypyrimidin-4-yl)methyl]ethanamine
CID 102951879
N-[(3,5-difluorophenyl)-pyrimidin-4-ylmethyl]ethanamine
CID 63987713
N-[(6-methoxypyrimidin-4-yl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 102951798
N-[(3,5-dimethylphenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine
CID 79722905
N-ethyl-1-(6-methoxypyrimidin-4-yl)-2-methylbutan-1-amine
CID 102951564
2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(6-methoxypyrimidin-4-yl)ethanamine
CID 102951934

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-5-methylphenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine?
The IUPAC name of N-[(3-fluoro-5-methylphenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine (CID 102951759) is N-[(3-fluoro-5-methylphenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-fluoro-5-methylphenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-fluoro-5-methylphenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine is CCNC(c1cc(C)cc(F)c1)c1cc(OC)ncn1.
What is the InChIKey of N-[(3-fluoro-5-methylphenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine?
The InChIKey is FABPCXQEZIGJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-4-17-15(11-5-10(2)6-12(16)7-11)13-8-14(20-3)19-9-18-13/h5-9,15,17H,4H2,1-3H3.
What are the key properties of N-[(3-fluoro-5-methylphenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine?
N-[(3-fluoro-5-methylphenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine has a molecular weight of 275.33 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-5-methylphenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine is sourced from PubChem (CID 102951759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).