1-(3-fluoro-4-pyridinyl)-N-methyl-1-(2-methylpyrimidin-4-yl)methanamine

C12H13FN4 — CID 104738640

IUPAC1-(3-fluoro-4-pyridinyl)-N-methyl-1-(2-methylpyrimidin-4-yl)methanamine
SMILESCNC(c1ccnc(C)n1)c1ccncc1F
InChIInChI=1S/C12H13FN4/c1-8-16-6-4-11(17-8)12(14-2)9-3-5-15-7-10(9)13/h3-7,12,14H,1-2H3
InChIKeyKBHHJSYZFFJYBU-UHFFFAOYSA-N
MW232.26 g/mol
LogP1.63
Rot. Bonds3

About 1-(3-fluoro-4-pyridinyl)-N-methyl-1-(2-methylpyrimidin-4-yl)methanamine

1-(3-fluoro-4-pyridinyl)-N-methyl-1-(2-methylpyrimidin-4-yl)methanamine (PubChem CID 104738640) has the molecular formula C12H13FN4 and a molecular weight of 232.26 g/mol. Its IUPAC name is 1-(3-fluoro-4-pyridinyl)-N-methyl-1-(2-methylpyrimidin-4-yl)methanamine.

Molecular Properties

Compound Name1-(3-fluoro-4-pyridinyl)-N-methyl-1-(2-methylpyrimidin-4-yl)methanamine
PubChem CID104738640
Molecular FormulaC12H13FN4
Molecular Weight232.26 g/mol
Exact Mass232.11
IUPAC Name1-(3-fluoro-4-pyridinyl)-N-methyl-1-(2-methylpyrimidin-4-yl)methanamine
SMILESCNC(c1ccnc(C)n1)c1ccncc1F
InChIInChI=1S/C12H13FN4/c1-8-16-6-4-11(17-8)12(14-2)9-3-5-15-7-10(9)13/h3-7,12,14H,1-2H3
InChIKeyKBHHJSYZFFJYBU-UHFFFAOYSA-N
XLogP1.63
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-fluoro-4-pyridinyl)-N-methyl-1-(2-methylpyrimidin-4-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-isoquinolin-5-yl-N-methyl-1-(2-methylpyrimidin-4-yl)methanamine
CID 115530639
1-(3-bromo-2-fluorophenyl)-N-methyl-1-(2-methylpyrimidin-4-yl)methanamine
CID 106646006
1-(3-fluoro-4-pyridinyl)-N-methyl-1-(thiadiazol-4-yl)methanamine
CID 105181850
1-(3-fluoro-4-pyridinyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
CID 104738299
1-(3-fluoro-4-pyridinyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine
CID 105038078
1-(2,5-dimethylpyrazol-3-yl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine
CID 105182032
N-[(4-methyl-3-pyridinyl)-(2-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 115531140
[(3-fluoro-4-pyridinyl)-pyrimidin-4-ylmethyl]hydrazine
CID 105221029
1-(3-fluoro-4-pyridinyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783582
N-[(3-fluoro-4-pyridinyl)-pyrimidin-4-ylmethyl]ethanamine
CID 104738234
1-(4-chloro-3-fluorophenyl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine
CID 114025401
N-methyl-1-(2-methylpyrimidin-4-yl)-1-(3-phenyltriazol-4-yl)methanamine
CID 114688914

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-pyridinyl)-N-methyl-1-(2-methylpyrimidin-4-yl)methanamine?
The IUPAC name of 1-(3-fluoro-4-pyridinyl)-N-methyl-1-(2-methylpyrimidin-4-yl)methanamine (CID 104738640) is 1-(3-fluoro-4-pyridinyl)-N-methyl-1-(2-methylpyrimidin-4-yl)methanamine.
What is the SMILES notation for 1-(3-fluoro-4-pyridinyl)-N-methyl-1-(2-methylpyrimidin-4-yl)methanamine?
The canonical SMILES for 1-(3-fluoro-4-pyridinyl)-N-methyl-1-(2-methylpyrimidin-4-yl)methanamine is CNC(c1ccnc(C)n1)c1ccncc1F.
What is the InChIKey of 1-(3-fluoro-4-pyridinyl)-N-methyl-1-(2-methylpyrimidin-4-yl)methanamine?
The InChIKey is KBHHJSYZFFJYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4/c1-8-16-6-4-11(17-8)12(14-2)9-3-5-15-7-10(9)13/h3-7,12,14H,1-2H3.
What are the key properties of 1-(3-fluoro-4-pyridinyl)-N-methyl-1-(2-methylpyrimidin-4-yl)methanamine?
1-(3-fluoro-4-pyridinyl)-N-methyl-1-(2-methylpyrimidin-4-yl)methanamine has a molecular weight of 232.26 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-pyridinyl)-N-methyl-1-(2-methylpyrimidin-4-yl)methanamine is sourced from PubChem (CID 104738640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).