N-[(3,4-dimethoxyphenyl)-pyrimidin-5-ylmethyl]ethanamine

C15H19N3O2 — CID 62491347

IUPACN-[(3,4-dimethoxyphenyl)-pyrimidin-5-ylmethyl]ethanamine
SMILESCCNC(c1cncnc1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C15H19N3O2/c1-4-18-15(12-8-16-10-17-9-12)11-5-6-13(19-2)14(7-11)20-3/h5-10,15,18H,4H2,1-3H3
InChIKeyGOIOXOZAYVNKFT-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.19
Rot. Bonds6

About N-[(3,4-dimethoxyphenyl)-pyrimidin-5-ylmethyl]ethanamine

N-[(3,4-dimethoxyphenyl)-pyrimidin-5-ylmethyl]ethanamine (PubChem CID 62491347) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)-pyrimidin-5-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)-pyrimidin-5-ylmethyl]ethanamine
PubChem CID62491347
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[(3,4-dimethoxyphenyl)-pyrimidin-5-ylmethyl]ethanamine
SMILESCCNC(c1cncnc1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C15H19N3O2/c1-4-18-15(12-8-16-10-17-9-12)11-5-6-13(19-2)14(7-11)20-3/h5-10,15,18H,4H2,1-3H3
InChIKeyGOIOXOZAYVNKFT-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

N-[(2,5-dimethoxyphenyl)-pyrimidin-5-ylmethyl]ethanamine
CID 115827374
N-[(3,4-dimethoxyphenyl)-(3-methylphenyl)methyl]ethanamine
CID 43488776
N-[(3,4-dimethoxyphenyl)-(thiadiazol-5-yl)methyl]ethanamine
CID 105141221
N-[(3-fluoro-4-methoxyphenyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 105023078
1-(3,4-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 43200497
N-[(3-bromo-4-fluorophenyl)-pyrimidin-5-ylmethyl]ethanamine
CID 82809323
N-[(3,4-dimethoxyphenyl)-(4-methyl-2-pyridinyl)methyl]ethanamine
CID 63840251
N-[2,3-dihydro-1,4-benzodioxin-6-yl(pyrimidin-5-yl)methyl]ethanamine
CID 115827350
N-[(3-bromo-4-methoxyphenyl)-pyridin-4-ylmethyl]ethanamine
CID 43487751
N-[(6-methyl-3-pyridinyl)-pyrimidin-5-ylmethyl]ethanamine
CID 105118897
N-[(3,5-difluorophenyl)-pyrimidin-5-ylmethyl]ethanamine
CID 62491730
1-(3,4-dimethoxyphenyl)-N-ethyl-2-methylprop-2-en-1-amine
CID 79190712

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)-pyrimidin-5-ylmethyl]ethanamine?
The IUPAC name of N-[(3,4-dimethoxyphenyl)-pyrimidin-5-ylmethyl]ethanamine (CID 62491347) is N-[(3,4-dimethoxyphenyl)-pyrimidin-5-ylmethyl]ethanamine.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)-pyrimidin-5-ylmethyl]ethanamine?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)-pyrimidin-5-ylmethyl]ethanamine is CCNC(c1cncnc1)c1ccc(OC)c(OC)c1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)-pyrimidin-5-ylmethyl]ethanamine?
The InChIKey is GOIOXOZAYVNKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-4-18-15(12-8-16-10-17-9-12)11-5-6-13(19-2)14(7-11)20-3/h5-10,15,18H,4H2,1-3H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)-pyrimidin-5-ylmethyl]ethanamine?
N-[(3,4-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-[(3,4-dimethoxyphenyl)-pyrimidin-5-ylmethyl]ethanamine is sourced from PubChem (CID 62491347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).