N-methyl-1-(4-methylphenyl)-N-[(3-pyrimidin-2-ylphenyl)methyl]methanamine

C20H21N3 — CID 91424656

IUPACN-methyl-1-(4-methylphenyl)-N-[(3-pyrimidin-2-ylphenyl)methyl]methanamine
SMILESCc1ccc(CN(C)Cc2cccc(-c3ncccn3)c2)cc1
InChIInChI=1S/C20H21N3/c1-16-7-9-17(10-8-16)14-23(2)15-18-5-3-6-19(13-18)20-21-11-4-12-22-20/h3-13H,14-15H2,1-2H3
InChIKeyYEFVFKBTNWXODC-UHFFFAOYSA-N
MW303.41 g/mol
LogP4.08
Rot. Bonds5

About N-methyl-1-(4-methylphenyl)-N-[(3-pyrimidin-2-ylphenyl)methyl]methanamine

N-methyl-1-(4-methylphenyl)-N-[(3-pyrimidin-2-ylphenyl)methyl]methanamine (PubChem CID 91424656) has the molecular formula C20H21N3 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-methyl-1-(4-methylphenyl)-N-[(3-pyrimidin-2-ylphenyl)methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(4-methylphenyl)-N-[(3-pyrimidin-2-ylphenyl)methyl]methanamine
PubChem CID91424656
Molecular FormulaC20H21N3
Molecular Weight303.41 g/mol
Exact Mass303.17
IUPAC NameN-methyl-1-(4-methylphenyl)-N-[(3-pyrimidin-2-ylphenyl)methyl]methanamine
SMILESCc1ccc(CN(C)Cc2cccc(-c3ncccn3)c2)cc1
InChIInChI=1S/C20H21N3/c1-16-7-9-17(10-8-16)14-23(2)15-18-5-3-6-19(13-18)20-21-11-4-12-22-20/h3-13H,14-15H2,1-2H3
InChIKeyYEFVFKBTNWXODC-UHFFFAOYSA-N
XLogP4.08
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylphenyl)-N-[(3-pyrimidin-2-ylphenyl)methyl]methanamine?
The IUPAC name of N-methyl-1-(4-methylphenyl)-N-[(3-pyrimidin-2-ylphenyl)methyl]methanamine (CID 91424656) is N-methyl-1-(4-methylphenyl)-N-[(3-pyrimidin-2-ylphenyl)methyl]methanamine.
What is the SMILES notation for N-methyl-1-(4-methylphenyl)-N-[(3-pyrimidin-2-ylphenyl)methyl]methanamine?
The canonical SMILES for N-methyl-1-(4-methylphenyl)-N-[(3-pyrimidin-2-ylphenyl)methyl]methanamine is Cc1ccc(CN(C)Cc2cccc(-c3ncccn3)c2)cc1.
What is the InChIKey of N-methyl-1-(4-methylphenyl)-N-[(3-pyrimidin-2-ylphenyl)methyl]methanamine?
The InChIKey is YEFVFKBTNWXODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3/c1-16-7-9-17(10-8-16)14-23(2)15-18-5-3-6-19(13-18)20-21-11-4-12-22-20/h3-13H,14-15H2,1-2H3.
What are the key properties of N-methyl-1-(4-methylphenyl)-N-[(3-pyrimidin-2-ylphenyl)methyl]methanamine?
N-methyl-1-(4-methylphenyl)-N-[(3-pyrimidin-2-ylphenyl)methyl]methanamine has a molecular weight of 303.41 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylphenyl)-N-[(3-pyrimidin-2-ylphenyl)methyl]methanamine is sourced from PubChem (CID 91424656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).