5-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-2-amine

C13H15FN4 — CID 113388103

IUPAC5-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-2-amine
SMILESCN(Cc1ccc(F)cc1)c1ncc(CN)cn1
InChIInChI=1S/C13H15FN4/c1-18(9-10-2-4-12(14)5-3-10)13-16-7-11(6-15)8-17-13/h2-5,7-8H,6,9,15H2,1H3
InChIKeyRQXKAWFNKPMEDI-UHFFFAOYSA-N
MW246.29 g/mol
LogP1.71
Rot. Bonds4

About 5-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-2-amine

5-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-2-amine (PubChem CID 113388103) has the molecular formula C13H15FN4 and a molecular weight of 246.29 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-2-amine
PubChem CID113388103
Molecular FormulaC13H15FN4
Molecular Weight246.29 g/mol
Exact Mass246.13
IUPAC Name5-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-2-amine
SMILESCN(Cc1ccc(F)cc1)c1ncc(CN)cn1
InChIInChI=1S/C13H15FN4/c1-18(9-10-2-4-12(14)5-3-10)13-16-7-11(6-15)8-17-13/h2-5,7-8H,6,9,15H2,1H3
InChIKeyRQXKAWFNKPMEDI-UHFFFAOYSA-N
XLogP1.71
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyrazin-2-amine
CID 66451652
5-(aminomethyl)-N,N-dimethylpyrimidin-2-amine
CID 62757845
4-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N,2-dimethylaniline
CID 60929562
3-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyridin-4-amine
CID 81246480
N'-[(4-fluorophenyl)methyl]-N'-methylmethanediamine
CID 115225832
N-[[4-(aminomethyl)phenyl]methyl]-5-bromo-4-methoxy-N-methylpyrimidin-2-amine
CID 106997357
4-N-[(4-fluorophenyl)methyl]-4-N,5-dimethylpyrimidine-2,4-diamine
CID 80794458
N-[[4-(aminomethyl)phenyl]methyl]-2,5-difluoro-N-methylaniline
CID 115213176
ethane;(4-fluorophenyl)methanamine
CID 142071105
5-bromo-4-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 80794231
2-(chloromethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyridin-4-amine
CID 61413503
N-[(6-chloro-3-pyridinyl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine
CID 60719313

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-2-amine?
The IUPAC name of 5-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-2-amine (CID 113388103) is 5-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-2-amine is CN(Cc1ccc(F)cc1)c1ncc(CN)cn1.
What is the InChIKey of 5-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-2-amine?
The InChIKey is RQXKAWFNKPMEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4/c1-18(9-10-2-4-12(14)5-3-10)13-16-7-11(6-15)8-17-13/h2-5,7-8H,6,9,15H2,1H3.
What are the key properties of 5-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-2-amine?
5-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-2-amine has a molecular weight of 246.29 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-2-amine is sourced from PubChem (CID 113388103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).