1-(2,6-difluorophenyl)-1-(6-methoxypyrimidin-4-yl)-N-methylmethanamine

C13H13F2N3O — CID 102951139

IUPAC1-(2,6-difluorophenyl)-1-(6-methoxypyrimidin-4-yl)-N-methylmethanamine
SMILESCNC(c1cc(OC)ncn1)c1c(F)cccc1F
InChIInChI=1S/C13H13F2N3O/c1-16-13(10-6-11(19-2)18-7-17-10)12-8(14)4-3-5-9(12)15/h3-7,13,16H,1-2H3
InChIKeySDBCTCOPHHMIHL-UHFFFAOYSA-N
MW265.26 g/mol
LogP2.07
Rot. Bonds4

About 1-(2,6-difluorophenyl)-1-(6-methoxypyrimidin-4-yl)-N-methylmethanamine

1-(2,6-difluorophenyl)-1-(6-methoxypyrimidin-4-yl)-N-methylmethanamine (PubChem CID 102951139) has the molecular formula C13H13F2N3O and a molecular weight of 265.26 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-1-(6-methoxypyrimidin-4-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-1-(6-methoxypyrimidin-4-yl)-N-methylmethanamine
PubChem CID102951139
Molecular FormulaC13H13F2N3O
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name1-(2,6-difluorophenyl)-1-(6-methoxypyrimidin-4-yl)-N-methylmethanamine
SMILESCNC(c1cc(OC)ncn1)c1c(F)cccc1F
InChIInChI=1S/C13H13F2N3O/c1-16-13(10-6-11(19-2)18-7-17-10)12-8(14)4-3-5-9(12)15/h3-7,13,16H,1-2H3
InChIKeySDBCTCOPHHMIHL-UHFFFAOYSA-N
XLogP2.07
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-difluorophenyl)-1-(6-methoxypyrimidin-4-yl)-N-methylmethanamine
CID 102951022
1-(6-methoxypyrimidin-4-yl)-N-methyl-1-(3-methylphenyl)methanamine
CID 102951074
(2-fluorophenyl)-(6-methoxypyrimidin-4-yl)methanol
CID 102950386
1-(2,6-difluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine
CID 79712535
N-[(2-fluoro-3-methoxyphenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine
CID 102951729
1-(2,6-difluorophenyl)-1-(3,4-dimethoxyphenyl)-N-methylmethanamine
CID 43481181
1-(2,6-difluorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
CID 43483206
N-[(4-fluorophenyl)-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine
CID 102952263
5-chloro-3-[(6-methoxypyrimidin-4-yl)-(methylamino)methyl]pyridin-2-amine
CID 102951299
2-(4-fluoro-2-methylphenyl)-1-(6-methoxypyrimidin-4-yl)-N-methylethanamine
CID 102951355
1-(2,6-difluorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 79522798
1-(2,6-difluorophenyl)-N-methyl-1-(thiadiazol-4-yl)methanamine
CID 105149290

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-1-(6-methoxypyrimidin-4-yl)-N-methylmethanamine?
The IUPAC name of 1-(2,6-difluorophenyl)-1-(6-methoxypyrimidin-4-yl)-N-methylmethanamine (CID 102951139) is 1-(2,6-difluorophenyl)-1-(6-methoxypyrimidin-4-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-1-(6-methoxypyrimidin-4-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2,6-difluorophenyl)-1-(6-methoxypyrimidin-4-yl)-N-methylmethanamine is CNC(c1cc(OC)ncn1)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-1-(6-methoxypyrimidin-4-yl)-N-methylmethanamine?
The InChIKey is SDBCTCOPHHMIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O/c1-16-13(10-6-11(19-2)18-7-17-10)12-8(14)4-3-5-9(12)15/h3-7,13,16H,1-2H3.
What are the key properties of 1-(2,6-difluorophenyl)-1-(6-methoxypyrimidin-4-yl)-N-methylmethanamine?
1-(2,6-difluorophenyl)-1-(6-methoxypyrimidin-4-yl)-N-methylmethanamine has a molecular weight of 265.26 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-1-(6-methoxypyrimidin-4-yl)-N-methylmethanamine is sourced from PubChem (CID 102951139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).