N-methyl-3-(3-methylphenoxy)-1-pyrimidin-5-ylpropan-1-amine

C15H19N3O — CID 105119056

IUPACN-methyl-3-(3-methylphenoxy)-1-pyrimidin-5-ylpropan-1-amine
SMILESCNC(CCOc1cccc(C)c1)c1cncnc1
InChIInChI=1S/C15H19N3O/c1-12-4-3-5-14(8-12)19-7-6-15(16-2)13-9-17-11-18-10-13/h3-5,8-11,15-16H,6-7H2,1-2H3
InChIKeyYAJYGFTWLZVYTL-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.51
Rot. Bonds6

About N-methyl-3-(3-methylphenoxy)-1-pyrimidin-5-ylpropan-1-amine

N-methyl-3-(3-methylphenoxy)-1-pyrimidin-5-ylpropan-1-amine (PubChem CID 105119056) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-methyl-3-(3-methylphenoxy)-1-pyrimidin-5-ylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(3-methylphenoxy)-1-pyrimidin-5-ylpropan-1-amine
PubChem CID105119056
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-methyl-3-(3-methylphenoxy)-1-pyrimidin-5-ylpropan-1-amine
SMILESCNC(CCOc1cccc(C)c1)c1cncnc1
InChIInChI=1S/C15H19N3O/c1-12-4-3-5-14(8-12)19-7-6-15(16-2)13-9-17-11-18-10-13/h3-5,8-11,15-16H,6-7H2,1-2H3
InChIKeyYAJYGFTWLZVYTL-UHFFFAOYSA-N
XLogP2.51
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-(3-methylphenoxy)-1-(1-methylpyrazol-4-yl)propan-1-amine
CID 105104689
1-(2,5-dimethylphenyl)-N-methyl-3-(3-methylphenoxy)propan-1-amine
CID 105120506
[3-(3-methylphenoxy)-1-phenylpropyl]hydrazine
CID 105283017
1-methoxy-N-methyl-4-(3-methylphenoxy)butan-2-amine
CID 105165685
3-(3-methylphenoxy)-N-propyl-1-pyrazin-2-ylpropan-1-amine
CID 105150138
1-(3-chloro-4-pyridinyl)-N-methyl-4-(3-methylphenoxy)butan-2-amine
CID 105157450
N,5-dimethyl-1-(3-methylphenoxy)hex-4-en-3-amine
CID 105163437
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
[1-(3-methylphenyl)-3-phenoxypropyl]hydrazine
CID 105191420
3-(3-methylphenoxy)-1-(4-methyl-3-pyridinyl)propan-1-ol
CID 105110886
N-methyl-1-(3-methylphenyl)-1-pyrimidin-5-ylmethanamine
CID 62491535
1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene
CID 2304788

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(3-methylphenoxy)-1-pyrimidin-5-ylpropan-1-amine?
The IUPAC name of N-methyl-3-(3-methylphenoxy)-1-pyrimidin-5-ylpropan-1-amine (CID 105119056) is N-methyl-3-(3-methylphenoxy)-1-pyrimidin-5-ylpropan-1-amine.
What is the SMILES notation for N-methyl-3-(3-methylphenoxy)-1-pyrimidin-5-ylpropan-1-amine?
The canonical SMILES for N-methyl-3-(3-methylphenoxy)-1-pyrimidin-5-ylpropan-1-amine is CNC(CCOc1cccc(C)c1)c1cncnc1.
What is the InChIKey of N-methyl-3-(3-methylphenoxy)-1-pyrimidin-5-ylpropan-1-amine?
The InChIKey is YAJYGFTWLZVYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-12-4-3-5-14(8-12)19-7-6-15(16-2)13-9-17-11-18-10-13/h3-5,8-11,15-16H,6-7H2,1-2H3.
What are the key properties of N-methyl-3-(3-methylphenoxy)-1-pyrimidin-5-ylpropan-1-amine?
N-methyl-3-(3-methylphenoxy)-1-pyrimidin-5-ylpropan-1-amine has a molecular weight of 257.34 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(3-methylphenoxy)-1-pyrimidin-5-ylpropan-1-amine is sourced from PubChem (CID 105119056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).