1-(2,6-difluorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine

C12H11F2N3 — CID 79522798

IUPAC1-(2,6-difluorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
SMILESCNC(c1cncnc1)c1c(F)cccc1F
InChIInChI=1S/C12H11F2N3/c1-15-12(8-5-16-7-17-6-8)11-9(13)3-2-4-10(11)14/h2-7,12,15H,1H3
InChIKeyAGXJGQRBZMASSO-UHFFFAOYSA-N
MW235.24 g/mol
LogP2.06
Rot. Bonds3

About 1-(2,6-difluorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine

1-(2,6-difluorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine (PubChem CID 79522798) has the molecular formula C12H11F2N3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
PubChem CID79522798
Molecular FormulaC12H11F2N3
Molecular Weight235.24 g/mol
Exact Mass235.09
IUPAC Name1-(2,6-difluorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
SMILESCNC(c1cncnc1)c1c(F)cccc1F
InChIInChI=1S/C12H11F2N3/c1-15-12(8-5-16-7-17-6-8)11-9(13)3-2-4-10(11)14/h2-7,12,15H,1H3
InChIKeyAGXJGQRBZMASSO-UHFFFAOYSA-N
XLogP2.06
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-chloro-2,3-difluorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 114275383
[(2-chloro-6-fluorophenyl)-pyrimidin-5-ylmethyl]hydrazine
CID 105292049
1-(3,5-dichlorophenyl)-1-(2,6-difluorophenyl)-N-methylmethanamine
CID 115859907
1-(2,6-difluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine
CID 79712535
N-methyl-1-(3-methylphenyl)-1-pyrimidin-5-ylmethanamine
CID 62491535
1-(2,6-difluorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
CID 43483206
1-(2,6-difluorophenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine
CID 115859709
1-(3-bromophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 62491207
1-(2,6-difluorophenyl)-N-methyl-1-(thiadiazol-4-yl)methanamine
CID 105149290
1-(2,3-dichlorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 115827336
1-(2-bromo-3-methylphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 114024192
1-(2,6-difluorophenyl)-1-(3,4-dimethoxyphenyl)-N-methylmethanamine
CID 43481181

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine?
The IUPAC name of 1-(2,6-difluorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine (CID 79522798) is 1-(2,6-difluorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine?
The canonical SMILES for 1-(2,6-difluorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine is CNC(c1cncnc1)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine?
The InChIKey is AGXJGQRBZMASSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3/c1-15-12(8-5-16-7-17-6-8)11-9(13)3-2-4-10(11)14/h2-7,12,15H,1H3.
What are the key properties of 1-(2,6-difluorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine?
1-(2,6-difluorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine has a molecular weight of 235.24 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine is sourced from PubChem (CID 79522798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).