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

C15H17F2N3 — CID 64561232

IUPAC1-[2-[(2,4-difluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine
SMILESCNCc1c(C)nc(Cc2ccc(F)cc2F)nc1C
InChIInChI=1S/C15H17F2N3/c1-9-13(8-18-3)10(2)20-15(19-9)6-11-4-5-12(16)7-14(11)17/h4-5,7,18H,6,8H2,1-3H3
InChIKeyXJFQJDLKEIVACI-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.68
Rot. Bonds4

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

1-[2-[(2,4-difluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine (PubChem CID 64561232) has the molecular formula C15H17F2N3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-[2-[(2,4-difluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(2,4-difluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine
PubChem CID64561232
Molecular FormulaC15H17F2N3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name1-[2-[(2,4-difluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine
SMILESCNCc1c(C)nc(Cc2ccc(F)cc2F)nc1C
InChIInChI=1S/C15H17F2N3/c1-9-13(8-18-3)10(2)20-15(19-9)6-11-4-5-12(16)7-14(11)17/h4-5,7,18H,6,8H2,1-3H3
InChIKeyXJFQJDLKEIVACI-UHFFFAOYSA-N
XLogP2.68
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,4-difluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(2,4-difluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine (CID 64561232) is 1-[2-[(2,4-difluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(2,4-difluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(2,4-difluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine is CNCc1c(C)nc(Cc2ccc(F)cc2F)nc1C.
What is the InChIKey of 1-[2-[(2,4-difluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine?
The InChIKey is XJFQJDLKEIVACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3/c1-9-13(8-18-3)10(2)20-15(19-9)6-11-4-5-12(16)7-14(11)17/h4-5,7,18H,6,8H2,1-3H3.
What are the key properties of 1-[2-[(2,4-difluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine?
1-[2-[(2,4-difluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine has a molecular weight of 277.32 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,4-difluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine is sourced from PubChem (CID 64561232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).