N-methyl-1-(2-pyrimidin-5-ylphenyl)methanamine

C12H13N3 — CID 62489827

IUPACN-methyl-1-(2-pyrimidin-5-ylphenyl)methanamine
SMILESCNCc1ccccc1-c1cncnc1
InChIInChI=1S/C12H13N3/c1-13-6-10-4-2-3-5-12(10)11-7-14-9-15-8-11/h2-5,7-9,13H,6H2,1H3
InChIKeyNBYVFMNFMDUCCW-UHFFFAOYSA-N
MW199.26 g/mol
LogP1.86
Rot. Bonds3

About N-methyl-1-(2-pyrimidin-5-ylphenyl)methanamine

N-methyl-1-(2-pyrimidin-5-ylphenyl)methanamine (PubChem CID 62489827) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is N-methyl-1-(2-pyrimidin-5-ylphenyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2-pyrimidin-5-ylphenyl)methanamine
PubChem CID62489827
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC NameN-methyl-1-(2-pyrimidin-5-ylphenyl)methanamine
SMILESCNCc1ccccc1-c1cncnc1
InChIInChI=1S/C12H13N3/c1-13-6-10-4-2-3-5-12(10)11-7-14-9-15-8-11/h2-5,7-9,13H,6H2,1H3
InChIKeyNBYVFMNFMDUCCW-UHFFFAOYSA-N
XLogP1.86
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-pyrimidin-5-ylphenyl)methanamine?
The IUPAC name of N-methyl-1-(2-pyrimidin-5-ylphenyl)methanamine (CID 62489827) is N-methyl-1-(2-pyrimidin-5-ylphenyl)methanamine.
What is the SMILES notation for N-methyl-1-(2-pyrimidin-5-ylphenyl)methanamine?
The canonical SMILES for N-methyl-1-(2-pyrimidin-5-ylphenyl)methanamine is CNCc1ccccc1-c1cncnc1.
What is the InChIKey of N-methyl-1-(2-pyrimidin-5-ylphenyl)methanamine?
The InChIKey is NBYVFMNFMDUCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c1-13-6-10-4-2-3-5-12(10)11-7-14-9-15-8-11/h2-5,7-9,13H,6H2,1H3.
What are the key properties of N-methyl-1-(2-pyrimidin-5-ylphenyl)methanamine?
N-methyl-1-(2-pyrimidin-5-ylphenyl)methanamine has a molecular weight of 199.26 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-pyrimidin-5-ylphenyl)methanamine is sourced from PubChem (CID 62489827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).