1-(2,5-dimethoxyphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine

C14H17N3O2 — CID 115827566

IUPAC1-(2,5-dimethoxyphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
SMILESCNC(c1cncnc1)c1cc(OC)ccc1OC
InChIInChI=1S/C14H17N3O2/c1-15-14(10-7-16-9-17-8-10)12-6-11(18-2)4-5-13(12)19-3/h4-9,14-15H,1-3H3
InChIKeyRFPXUDZNRWPOBM-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.80
Rot. Bonds5

About 1-(2,5-dimethoxyphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine

1-(2,5-dimethoxyphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine (PubChem CID 115827566) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
PubChem CID115827566
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name1-(2,5-dimethoxyphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
SMILESCNC(c1cncnc1)c1cc(OC)ccc1OC
InChIInChI=1S/C14H17N3O2/c1-15-14(10-7-16-9-17-8-10)12-6-11(18-2)4-5-13(12)19-3/h4-9,14-15H,1-3H3
InChIKeyRFPXUDZNRWPOBM-UHFFFAOYSA-N
XLogP1.80
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,5-dimethoxyphenyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105026152
N-[(2,5-dimethoxyphenyl)-pyrimidin-5-ylmethyl]ethanamine
CID 115827374
1-(2,5-dimethoxyphenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 115805232
1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 103524439
1-(3,5-dichloro-2-pyridinyl)-1-(2,5-dimethoxyphenyl)-N-methylmethanamine
CID 79783522
1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 102923788
1-(2,5-dimethoxyphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 115808111
1-(2-methoxy-5-methylphenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
CID 105022947
1-(2,5-dimethoxyphenyl)-N,N'-dimethylmethanediamine
CID 116954299
1-(5-chloro-2-methoxyphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 43481650
(1S)-1-(2,5-dimethoxyphenyl)-N-methylethanamine
CID 40516621
1-(3-methoxy-4-pyridinyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105065961

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine (CID 115827566) is 1-(2,5-dimethoxyphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine is CNC(c1cncnc1)c1cc(OC)ccc1OC.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine?
The InChIKey is RFPXUDZNRWPOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-15-14(10-7-16-9-17-8-10)12-6-11(18-2)4-5-13(12)19-3/h4-9,14-15H,1-3H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine?
1-(2,5-dimethoxyphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine has a molecular weight of 259.31 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine is sourced from PubChem (CID 115827566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).