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

C15H16N6 — CID 114688914

IUPACN-methyl-1-(2-methylpyrimidin-4-yl)-1-(3-phenyltriazol-4-yl)methanamine
SMILESCNC(c1ccnc(C)n1)c1cnnn1-c1ccccc1
InChIInChI=1S/C15H16N6/c1-11-17-9-8-13(19-11)15(16-2)14-10-18-20-21(14)12-6-4-3-5-7-12/h3-10,15-16H,1-2H3
InChIKeyUGEIWSCFFCUMCT-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.67
Rot. Bonds4

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

N-methyl-1-(2-methylpyrimidin-4-yl)-1-(3-phenyltriazol-4-yl)methanamine (PubChem CID 114688914) has the molecular formula C15H16N6 and a molecular weight of 280.34 g/mol. Its IUPAC name is N-methyl-1-(2-methylpyrimidin-4-yl)-1-(3-phenyltriazol-4-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2-methylpyrimidin-4-yl)-1-(3-phenyltriazol-4-yl)methanamine
PubChem CID114688914
Molecular FormulaC15H16N6
Molecular Weight280.34 g/mol
Exact Mass280.14
IUPAC NameN-methyl-1-(2-methylpyrimidin-4-yl)-1-(3-phenyltriazol-4-yl)methanamine
SMILESCNC(c1ccnc(C)n1)c1cnnn1-c1ccccc1
InChIInChI=1S/C15H16N6/c1-11-17-9-8-13(19-11)15(16-2)14-10-18-20-21(14)12-6-4-3-5-7-12/h3-10,15-16H,1-2H3
InChIKeyUGEIWSCFFCUMCT-UHFFFAOYSA-N
XLogP1.67
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2-methylpyrimidin-4-yl)-(3-phenyltriazol-4-yl)methyl]hydrazine
CID 105260678
N-methyl-1-(6-methyl-2-pyridinyl)-1-(3-phenyltriazol-4-yl)methanamine
CID 114687713
N-methyl-1-(3-methyl-2-pyridinyl)-1-(3-phenyltriazol-4-yl)methanamine
CID 114687408
1-(furan-2-yl)-N-methyl-1-(3-phenyltriazol-4-yl)methanamine
CID 114687548
1-(3-fluoro-2-pyridinyl)-N-methyl-1-(3-phenyltriazol-4-yl)methanamine
CID 114688838
2,2-difluoro-N-methyl-1-(3-phenyltriazol-4-yl)ethanamine
CID 103517148
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
2,2,2-trifluoro-N-methyl-1-(3-phenyltriazol-4-yl)ethanamine
CID 105043304
1-(3-fluoro-4-pyridinyl)-N-methyl-1-(2-methylpyrimidin-4-yl)methanamine
CID 104738640
[(5-fluoro-2-pyridinyl)-(3-phenyltriazol-4-yl)methyl]hydrazine
CID 105248565
N-methyl-1-(1-methylimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)methanamine
CID 115530544

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylpyrimidin-4-yl)-1-(3-phenyltriazol-4-yl)methanamine?
The IUPAC name of N-methyl-1-(2-methylpyrimidin-4-yl)-1-(3-phenyltriazol-4-yl)methanamine (CID 114688914) is N-methyl-1-(2-methylpyrimidin-4-yl)-1-(3-phenyltriazol-4-yl)methanamine.
What is the SMILES notation for N-methyl-1-(2-methylpyrimidin-4-yl)-1-(3-phenyltriazol-4-yl)methanamine?
The canonical SMILES for N-methyl-1-(2-methylpyrimidin-4-yl)-1-(3-phenyltriazol-4-yl)methanamine is CNC(c1ccnc(C)n1)c1cnnn1-c1ccccc1.
What is the InChIKey of N-methyl-1-(2-methylpyrimidin-4-yl)-1-(3-phenyltriazol-4-yl)methanamine?
The InChIKey is UGEIWSCFFCUMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6/c1-11-17-9-8-13(19-11)15(16-2)14-10-18-20-21(14)12-6-4-3-5-7-12/h3-10,15-16H,1-2H3.
What are the key properties of N-methyl-1-(2-methylpyrimidin-4-yl)-1-(3-phenyltriazol-4-yl)methanamine?
N-methyl-1-(2-methylpyrimidin-4-yl)-1-(3-phenyltriazol-4-yl)methanamine has a molecular weight of 280.34 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylpyrimidin-4-yl)-1-(3-phenyltriazol-4-yl)methanamine is sourced from PubChem (CID 114688914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).