N-[[2-(2-ethoxyphenyl)pyrimidin-4-yl]methyl]ethanamine

C15H19N3O — CID 115534303

IUPACN-[[2-(2-ethoxyphenyl)pyrimidin-4-yl]methyl]ethanamine
SMILESCCNCc1ccnc(-c2ccccc2OCC)n1
InChIInChI=1S/C15H19N3O/c1-3-16-11-12-9-10-17-15(18-12)13-7-5-6-8-14(13)19-4-2/h5-10,16H,3-4,11H2,1-2H3
InChIKeyIZQXTAMLDXAIQB-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.65
Rot. Bonds6

About N-[[2-(2-ethoxyphenyl)pyrimidin-4-yl]methyl]ethanamine

N-[[2-(2-ethoxyphenyl)pyrimidin-4-yl]methyl]ethanamine (PubChem CID 115534303) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-[[2-(2-ethoxyphenyl)pyrimidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2-ethoxyphenyl)pyrimidin-4-yl]methyl]ethanamine
PubChem CID115534303
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-[[2-(2-ethoxyphenyl)pyrimidin-4-yl]methyl]ethanamine
SMILESCCNCc1ccnc(-c2ccccc2OCC)n1
InChIInChI=1S/C15H19N3O/c1-3-16-11-12-9-10-17-15(18-12)13-7-5-6-8-14(13)19-4-2/h5-10,16H,3-4,11H2,1-2H3
InChIKeyIZQXTAMLDXAIQB-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(2-nitrophenyl)pyrimidin-4-yl]methyl]ethanamine
CID 62748621
N-[[2-(2-bromo-5-fluorophenyl)pyrimidin-4-yl]methyl]ethanamine
CID 107924174
[2-(2-methoxyphenyl)pyrimidin-4-yl]methanol
CID 62748662
N-[[2-(4-methoxyphenyl)pyrimidin-4-yl]methyl]ethanamine
CID 46785129
N-[[2-(4-bromo-2-methylphenyl)pyrimidin-4-yl]methyl]ethanamine
CID 103083929
2-(2-butoxyphenyl)-4-heptylpyrimidine
CID 54040696
3-(2-ethoxyphenyl)-1,2,4-triazine
CID 139592958
N-[[5-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 79140406
[2-[2-(trideuteriomethoxy)phenyl]pyrimidin-4-yl]methanol
CID 118157470
N-[[2-(2-chlorophenyl)pyrimidin-4-yl]methyl]-2-methoxyethanamine
CID 62748837
4-(2-ethoxyphenyl)-1,3,5-triazin-2-amine
CID 115534558
N-[[5-(2-ethoxyphenyl)furan-2-yl]methyl]ethanamine
CID 106887098

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-ethoxyphenyl)pyrimidin-4-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(2-ethoxyphenyl)pyrimidin-4-yl]methyl]ethanamine (CID 115534303) is N-[[2-(2-ethoxyphenyl)pyrimidin-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2-ethoxyphenyl)pyrimidin-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2-ethoxyphenyl)pyrimidin-4-yl]methyl]ethanamine is CCNCc1ccnc(-c2ccccc2OCC)n1.
What is the InChIKey of N-[[2-(2-ethoxyphenyl)pyrimidin-4-yl]methyl]ethanamine?
The InChIKey is IZQXTAMLDXAIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-3-16-11-12-9-10-17-15(18-12)13-7-5-6-8-14(13)19-4-2/h5-10,16H,3-4,11H2,1-2H3.
What are the key properties of N-[[2-(2-ethoxyphenyl)pyrimidin-4-yl]methyl]ethanamine?
N-[[2-(2-ethoxyphenyl)pyrimidin-4-yl]methyl]ethanamine has a molecular weight of 257.34 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-ethoxyphenyl)pyrimidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 115534303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).