N-methyl-2-[2-(3-methylphenyl)pyrimidin-5-yl]oxyethanamine

C14H17N3O — CID 117231174

IUPACN-methyl-2-[2-(3-methylphenyl)pyrimidin-5-yl]oxyethanamine
SMILESCNCCOc1cnc(-c2cccc(C)c2)nc1
InChIInChI=1S/C14H17N3O/c1-11-4-3-5-12(8-11)14-16-9-13(10-17-14)18-7-6-15-2/h3-5,8-10,15H,6-7H2,1-2H3
InChIKeyIPVFNTRANOKJOY-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.05
Rot. Bonds5

About N-methyl-2-[2-(3-methylphenyl)pyrimidin-5-yl]oxyethanamine

N-methyl-2-[2-(3-methylphenyl)pyrimidin-5-yl]oxyethanamine (PubChem CID 117231174) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-methyl-2-[2-(3-methylphenyl)pyrimidin-5-yl]oxyethanamine.

Molecular Properties

Compound NameN-methyl-2-[2-(3-methylphenyl)pyrimidin-5-yl]oxyethanamine
PubChem CID117231174
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-methyl-2-[2-(3-methylphenyl)pyrimidin-5-yl]oxyethanamine
SMILESCNCCOc1cnc(-c2cccc(C)c2)nc1
InChIInChI=1S/C14H17N3O/c1-11-4-3-5-12(8-11)14-16-9-13(10-17-14)18-7-6-15-2/h3-5,8-10,15H,6-7H2,1-2H3
InChIKeyIPVFNTRANOKJOY-UHFFFAOYSA-N
XLogP2.05
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[5-[3-(methylamino)propoxy]pyrimidin-2-yl]phenol
CID 117231253
3-[2-(3-ethylphenyl)pyrimidin-5-yl]oxy-N-methylpropan-1-amine
CID 70876394
N-methyl-3-[2-(4-methylphenyl)pyrimidin-5-yl]oxypropan-1-amine
CID 117231256
5-methoxy-2-(3-methylphenyl)pyrimidine
CID 91581567
N-methyl-3-[2-(2-methylphenyl)pyrimidin-5-yl]oxypropan-1-amine
CID 117231244
N-methyl-2-[3-(3-methylphenoxy)propoxy]ethanamine
CID 82353159
N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]propan-1-amine
CID 62756408
2-[2-(3-methoxyphenyl)pyrimidin-5-yl]oxyethanol
CID 117230603
2-[4,6-dimethyl-2-(3-methylphenyl)pyrimidin-5-yl]-N-methylethanamine
CID 62744051
N'-[2-(3-methylphenyl)pyrimidin-5-yl]propane-1,3-diamine
CID 117212373
N-methyl-2-[3-methyl-5-[2-(methylamino)ethoxy]phenoxy]ethanamine
CID 123710934
N-methyl-3-[1-(3-methylphenyl)pyrazol-4-yl]oxypropan-1-amine
CID 117230384

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(3-methylphenyl)pyrimidin-5-yl]oxyethanamine?
The IUPAC name of N-methyl-2-[2-(3-methylphenyl)pyrimidin-5-yl]oxyethanamine (CID 117231174) is N-methyl-2-[2-(3-methylphenyl)pyrimidin-5-yl]oxyethanamine.
What is the SMILES notation for N-methyl-2-[2-(3-methylphenyl)pyrimidin-5-yl]oxyethanamine?
The canonical SMILES for N-methyl-2-[2-(3-methylphenyl)pyrimidin-5-yl]oxyethanamine is CNCCOc1cnc(-c2cccc(C)c2)nc1.
What is the InChIKey of N-methyl-2-[2-(3-methylphenyl)pyrimidin-5-yl]oxyethanamine?
The InChIKey is IPVFNTRANOKJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-11-4-3-5-12(8-11)14-16-9-13(10-17-14)18-7-6-15-2/h3-5,8-10,15H,6-7H2,1-2H3.
What are the key properties of N-methyl-2-[2-(3-methylphenyl)pyrimidin-5-yl]oxyethanamine?
N-methyl-2-[2-(3-methylphenyl)pyrimidin-5-yl]oxyethanamine has a molecular weight of 243.31 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(3-methylphenyl)pyrimidin-5-yl]oxyethanamine is sourced from PubChem (CID 117231174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).