2-(2-methylphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine

C14H17N3 — CID 79763577

IUPAC2-(2-methylphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine
SMILESCc1ccccc1CCNCc1ccncn1
InChIInChI=1S/C14H17N3/c1-12-4-2-3-5-13(12)6-8-15-10-14-7-9-16-11-17-14/h2-5,7,9,11,15H,6,8,10H2,1H3
InChIKeyUGMBKEYYXRHLES-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.12
Rot. Bonds5

About 2-(2-methylphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine

2-(2-methylphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine (PubChem CID 79763577) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine
PubChem CID79763577
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name2-(2-methylphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine
SMILESCc1ccccc1CCNCc1ccncn1
InChIInChI=1S/C14H17N3/c1-12-4-2-3-5-13(12)6-8-15-10-14-7-9-16-11-17-14/h2-5,7,9,11,15H,6,8,10H2,1H3
InChIKeyUGMBKEYYXRHLES-UHFFFAOYSA-N
XLogP2.12
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-pyrimidin-4-ylmethanamine
CID 55109911
N-[(2-ethylphenyl)methyl]-1-pyrimidin-4-ylmethanamine
CID 64680497
2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(pyrimidin-4-ylmethyl)ethanamine
CID 106414154
3-phenyl-N-(pyrimidin-4-ylmethyl)butan-1-amine
CID 55152743
2-(2-methylphenyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 79748978
1-(2-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 2759812
N-[(2-bromophenyl)methyl]-2-(2-methylphenyl)ethanamine
CID 78910561
2-(2-methylphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 79032805
2-(4-methyl-1,2,4-triazol-3-yl)-N-(pyrimidin-4-ylmethyl)ethanamine
CID 63332232
N-[[4-(methoxymethyl)phenyl]methyl]-2-(2-methylphenyl)ethanamine
CID 79032661
2-(2-methoxyethoxy)-N-(pyrimidin-4-ylmethyl)ethanamine
CID 62747851
N-[2-(pyrimidin-4-ylmethylamino)ethyl]methanesulfonamide
CID 62760578

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine?
The IUPAC name of 2-(2-methylphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine (CID 79763577) is 2-(2-methylphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine.
What is the SMILES notation for 2-(2-methylphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine?
The canonical SMILES for 2-(2-methylphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine is Cc1ccccc1CCNCc1ccncn1.
What is the InChIKey of 2-(2-methylphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine?
The InChIKey is UGMBKEYYXRHLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-12-4-2-3-5-13(12)6-8-15-10-14-7-9-16-11-17-14/h2-5,7,9,11,15H,6,8,10H2,1H3.
What are the key properties of 2-(2-methylphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine?
2-(2-methylphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine has a molecular weight of 227.31 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine is sourced from PubChem (CID 79763577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).