1-[2-[(4-fluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine

C15H18FN3 — CID 62744269

IUPAC1-[2-[(4-fluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine
SMILESCNCc1c(C)nc(Cc2ccc(F)cc2)nc1C
InChIInChI=1S/C15H18FN3/c1-10-14(9-17-3)11(2)19-15(18-10)8-12-4-6-13(16)7-5-12/h4-7,17H,8-9H2,1-3H3
InChIKeyIMXBBYGZUATQIS-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.54
Rot. Bonds4

About 1-[2-[(4-fluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine

1-[2-[(4-fluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine (PubChem CID 62744269) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is 1-[2-[(4-fluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(4-fluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine
PubChem CID62744269
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC Name1-[2-[(4-fluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine
SMILESCNCc1c(C)nc(Cc2ccc(F)cc2)nc1C
InChIInChI=1S/C15H18FN3/c1-10-14(9-17-3)11(2)19-15(18-10)8-12-4-6-13(16)7-5-12/h4-7,17H,8-9H2,1-3H3
InChIKeyIMXBBYGZUATQIS-UHFFFAOYSA-N
XLogP2.54
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-fluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(4-fluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine (CID 62744269) is 1-[2-[(4-fluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(4-fluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(4-fluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine is CNCc1c(C)nc(Cc2ccc(F)cc2)nc1C.
What is the InChIKey of 1-[2-[(4-fluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine?
The InChIKey is IMXBBYGZUATQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c1-10-14(9-17-3)11(2)19-15(18-10)8-12-4-6-13(16)7-5-12/h4-7,17H,8-9H2,1-3H3.
What are the key properties of 1-[2-[(4-fluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine?
1-[2-[(4-fluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine has a molecular weight of 259.33 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-fluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine is sourced from PubChem (CID 62744269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).