1-[2-(2-ethylphenoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine

C15H19N3O — CID 83189072

IUPAC1-[2-(2-ethylphenoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine
SMILESCCc1ccccc1Oc1ncc(CNC)c(C)n1
InChIInChI=1S/C15H19N3O/c1-4-12-7-5-6-8-14(12)19-15-17-10-13(9-16-3)11(2)18-15/h5-8,10,16H,4,9H2,1-3H3
InChIKeyVVFCLPGDLZXGTI-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.86
Rot. Bonds5

About 1-[2-(2-ethylphenoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine

1-[2-(2-ethylphenoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine (PubChem CID 83189072) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-[2-(2-ethylphenoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(2-ethylphenoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine
PubChem CID83189072
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-[2-(2-ethylphenoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine
SMILESCCc1ccccc1Oc1ncc(CNC)c(C)n1
InChIInChI=1S/C15H19N3O/c1-4-12-7-5-6-8-14(12)19-15-17-10-13(9-16-3)11(2)18-15/h5-8,10,16H,4,9H2,1-3H3
InChIKeyVVFCLPGDLZXGTI-UHFFFAOYSA-N
XLogP2.86
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2,3-difluorophenoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine
CID 83189380
1-[2-(2-ethylphenoxy)phenyl]-N-methylmethanamine
CID 43283795
1-[2-(5-bromo-4-methoxypyrimidin-2-yl)oxyphenyl]-N-methylmethanamine
CID 106998413
1-[2-(2-bromo-4-chlorophenoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine
CID 83188917
N-[[2-(2-chlorophenoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83189598
1-[2-(3,5-dimethoxyphenoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine
CID 83185420
1-[5-chloro-2-(2-ethylphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 114928464
N-[[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-4-methylpyrimidin-5-yl]methyl]ethanamine
CID 103175513
1-(2-cyclopentyloxy-4-methylpyrimidin-5-yl)-N-methylmethanamine
CID 83189730
N-methyl-1-[4-methyl-2-(4-methylpentan-2-yloxy)pyrimidin-5-yl]methanamine
CID 83189734
N-ethyl-4-methyl-5-(methylaminomethyl)-N-phenylpyrimidin-2-amine
CID 83185236
1-(2-cyclohexyloxy-4-methylpyrimidin-5-yl)-N-methylmethanamine
CID 83189189

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethylphenoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(2-ethylphenoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine (CID 83189072) is 1-[2-(2-ethylphenoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(2-ethylphenoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(2-ethylphenoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine is CCc1ccccc1Oc1ncc(CNC)c(C)n1.
What is the InChIKey of 1-[2-(2-ethylphenoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine?
The InChIKey is VVFCLPGDLZXGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-4-12-7-5-6-8-14(12)19-15-17-10-13(9-16-3)11(2)18-15/h5-8,10,16H,4,9H2,1-3H3.
What are the key properties of 1-[2-(2-ethylphenoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine?
1-[2-(2-ethylphenoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine has a molecular weight of 257.34 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethylphenoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine is sourced from PubChem (CID 83189072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).