N-[[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]methyl]-2-methoxyethanamine

C15H18FN3O — CID 62746066

IUPACN-[[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cc(C)nc(-c2ccc(F)cc2)n1
InChIInChI=1S/C15H18FN3O/c1-11-9-14(10-17-7-8-20-2)19-15(18-11)12-3-5-13(16)6-4-12/h3-6,9,17H,7-8,10H2,1-2H3
InChIKeyONBSGRKHIVNZQF-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.33
Rot. Bonds6

About N-[[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]methyl]-2-methoxyethanamine

N-[[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]methyl]-2-methoxyethanamine (PubChem CID 62746066) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is N-[[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]methyl]-2-methoxyethanamine
PubChem CID62746066
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC NameN-[[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cc(C)nc(-c2ccc(F)cc2)n1
InChIInChI=1S/C15H18FN3O/c1-11-9-14(10-17-7-8-20-2)19-15(18-11)12-3-5-13(16)6-4-12/h3-6,9,17H,7-8,10H2,1-2H3
InChIKeyONBSGRKHIVNZQF-UHFFFAOYSA-N
XLogP2.33
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)methyl]ethanamine
CID 62744312
N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 60727772
2-methoxy-N-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)methyl]ethanamine
CID 62745007
N-[(6-methyl-2-phenylpyrimidin-4-yl)methyl]propan-1-amine
CID 62745336
2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]ethanamine
CID 62745037
4-[4-(ethylaminomethyl)-6-methylpyrimidin-2-yl]phenol
CID 136889379
N-[[2-(3,4-dichlorophenyl)-6-methylpyrimidin-4-yl]methyl]propan-1-amine
CID 81492623
N-[[2-(3,4-dimethoxyphenyl)-6-methylpyrimidin-4-yl]methyl]ethanamine
CID 62744975
N-[[2-(3-fluoro-4-methylphenyl)-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine
CID 62746589
N-[[2-(tert-butylsulfanylmethyl)-6-methylpyrimidin-4-yl]methyl]-2-methoxyethanamine
CID 65138090
N-[(4,6-dimethyl-2-phenylpyrimidin-5-yl)methyl]-2-methoxyethanamine
CID 62746727
N-[(8-fluoro-2-methylquinolin-4-yl)methyl]-2-methoxyethanamine
CID 82448807

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]methyl]-2-methoxyethanamine (CID 62746066) is N-[[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]methyl]-2-methoxyethanamine is COCCNCc1cc(C)nc(-c2ccc(F)cc2)n1.
What is the InChIKey of N-[[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]methyl]-2-methoxyethanamine?
The InChIKey is ONBSGRKHIVNZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-11-9-14(10-17-7-8-20-2)19-15(18-11)12-3-5-13(16)6-4-12/h3-6,9,17H,7-8,10H2,1-2H3.
What are the key properties of N-[[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]methyl]-2-methoxyethanamine?
N-[[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]methyl]-2-methoxyethanamine has a molecular weight of 275.33 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 62746066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).