N-[(2,5-dimethoxyphenyl)-pyrimidin-5-ylmethyl]ethanamine

C15H19N3O2 — CID 115827374

IUPACN-[(2,5-dimethoxyphenyl)-pyrimidin-5-ylmethyl]ethanamine
SMILESCCNC(c1cncnc1)c1cc(OC)ccc1OC
InChIInChI=1S/C15H19N3O2/c1-4-18-15(11-8-16-10-17-9-11)13-7-12(19-2)5-6-14(13)20-3/h5-10,15,18H,4H2,1-3H3
InChIKeyWHPSDTHZGZCWIE-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.19
Rot. Bonds6

About N-[(2,5-dimethoxyphenyl)-pyrimidin-5-ylmethyl]ethanamine

N-[(2,5-dimethoxyphenyl)-pyrimidin-5-ylmethyl]ethanamine (PubChem CID 115827374) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)-pyrimidin-5-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)-pyrimidin-5-ylmethyl]ethanamine
PubChem CID115827374
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[(2,5-dimethoxyphenyl)-pyrimidin-5-ylmethyl]ethanamine
SMILESCCNC(c1cncnc1)c1cc(OC)ccc1OC
InChIInChI=1S/C15H19N3O2/c1-4-18-15(11-8-16-10-17-9-11)13-7-12(19-2)5-6-14(13)20-3/h5-10,15,18H,4H2,1-3H3
InChIKeyWHPSDTHZGZCWIE-UHFFFAOYSA-N
XLogP2.19
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,5-dimethoxyphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 115827566
N-[(3,4-dimethoxyphenyl)-pyrimidin-5-ylmethyl]ethanamine
CID 62491347
N-[(2,5-dimethoxyphenyl)-(1,3-thiazol-4-yl)methyl]ethanamine
CID 78923564
N-[(2,5-dimethoxyphenyl)-(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
CID 105145779
N-[(2,5-dimethoxyphenyl)-(2-iodophenyl)methyl]ethanamine
CID 43489510
N-[(4-methoxy-2-methylphenyl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 102923325
1-(2,5-dimethoxyphenyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105026152
1-(2,5-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 43489494
N-[(2-bromo-5-methoxyphenyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 105173796
N-[(2,5-dimethoxyphenyl)-(1-methylimidazol-4-yl)methyl]ethanamine
CID 107975141
N-[(5-fluoro-2-methoxyphenyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 105176637
N-[(2-bromo-5-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 105093219

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)-pyrimidin-5-ylmethyl]ethanamine?
The IUPAC name of N-[(2,5-dimethoxyphenyl)-pyrimidin-5-ylmethyl]ethanamine (CID 115827374) is N-[(2,5-dimethoxyphenyl)-pyrimidin-5-ylmethyl]ethanamine.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)-pyrimidin-5-ylmethyl]ethanamine?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)-pyrimidin-5-ylmethyl]ethanamine is CCNC(c1cncnc1)c1cc(OC)ccc1OC.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)-pyrimidin-5-ylmethyl]ethanamine?
The InChIKey is WHPSDTHZGZCWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-4-18-15(11-8-16-10-17-9-11)13-7-12(19-2)5-6-14(13)20-3/h5-10,15,18H,4H2,1-3H3.
What are the key properties of N-[(2,5-dimethoxyphenyl)-pyrimidin-5-ylmethyl]ethanamine?
N-[(2,5-dimethoxyphenyl)-pyrimidin-5-ylmethyl]ethanamine has a molecular weight of 273.34 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)-pyrimidin-5-ylmethyl]ethanamine is sourced from PubChem (CID 115827374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).