1-[2-(3,5-dimethoxyphenoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine

C15H19N3O3 — CID 83185420

IUPAC1-[2-(3,5-dimethoxyphenoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine
SMILESCNCc1cnc(Oc2cc(OC)cc(OC)c2)nc1C
InChIInChI=1S/C15H19N3O3/c1-10-11(8-16-2)9-17-15(18-10)21-14-6-12(19-3)5-13(7-14)20-4/h5-7,9,16H,8H2,1-4H3
InChIKeyGBPSRCMNAYEFEZ-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.31
Rot. Bonds6

About 1-[2-(3,5-dimethoxyphenoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine

1-[2-(3,5-dimethoxyphenoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine (PubChem CID 83185420) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-[2-(3,5-dimethoxyphenoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3,5-dimethoxyphenoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine
PubChem CID83185420
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name1-[2-(3,5-dimethoxyphenoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine
SMILESCNCc1cnc(Oc2cc(OC)cc(OC)c2)nc1C
InChIInChI=1S/C15H19N3O3/c1-10-11(8-16-2)9-17-15(18-10)21-14-6-12(19-3)5-13(7-14)20-4/h5-7,9,16H,8H2,1-4H3
InChIKeyGBPSRCMNAYEFEZ-UHFFFAOYSA-N
XLogP2.31
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethoxyphenoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3,5-dimethoxyphenoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine (CID 83185420) is 1-[2-(3,5-dimethoxyphenoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3,5-dimethoxyphenoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3,5-dimethoxyphenoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine is CNCc1cnc(Oc2cc(OC)cc(OC)c2)nc1C.
What is the InChIKey of 1-[2-(3,5-dimethoxyphenoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine?
The InChIKey is GBPSRCMNAYEFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-10-11(8-16-2)9-17-15(18-10)21-14-6-12(19-3)5-13(7-14)20-4/h5-7,9,16H,8H2,1-4H3.
What are the key properties of 1-[2-(3,5-dimethoxyphenoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine?
1-[2-(3,5-dimethoxyphenoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine has a molecular weight of 289.34 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethoxyphenoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine is sourced from PubChem (CID 83185420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).