1-(5-chloro-2-methoxyphenyl)-N-methyl-1-pyrimidin-2-ylmethanamine

C13H14ClN3O — CID 62791218

IUPAC1-(5-chloro-2-methoxyphenyl)-N-methyl-1-pyrimidin-2-ylmethanamine
SMILESCNC(c1ncccn1)c1cc(Cl)ccc1OC
InChIInChI=1S/C13H14ClN3O/c1-15-12(13-16-6-3-7-17-13)10-8-9(14)4-5-11(10)18-2/h3-8,12,15H,1-2H3
InChIKeyQGDVGVKEPXDPOO-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.45
Rot. Bonds4

About 1-(5-chloro-2-methoxyphenyl)-N-methyl-1-pyrimidin-2-ylmethanamine

1-(5-chloro-2-methoxyphenyl)-N-methyl-1-pyrimidin-2-ylmethanamine (PubChem CID 62791218) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-N-methyl-1-pyrimidin-2-ylmethanamine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-N-methyl-1-pyrimidin-2-ylmethanamine
PubChem CID62791218
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name1-(5-chloro-2-methoxyphenyl)-N-methyl-1-pyrimidin-2-ylmethanamine
SMILESCNC(c1ncccn1)c1cc(Cl)ccc1OC
InChIInChI=1S/C13H14ClN3O/c1-15-12(13-16-6-3-7-17-13)10-8-9(14)4-5-11(10)18-2/h3-8,12,15H,1-2H3
InChIKeyQGDVGVKEPXDPOO-UHFFFAOYSA-N
XLogP2.45
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-pyrimidin-2-ylmethanamine
CID 82769619
1-(5-chloro-2-methoxyphenyl)-1-(4-chlorophenyl)-N-methylmethanamine
CID 43481413
1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine
CID 62789375
1-(5-chloro-2-methoxyphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 43481650
1-(5-chloro-2-methoxyphenyl)-N,N'-dimethylmethanediamine
CID 116954303
1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
CID 43483201
1-(5-chloro-2-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 104545899
2-(5-chloro-2-methoxyphenyl)-N-methyl-1-pyrimidin-2-ylethanamine
CID 62600240
1-(5-chloro-2-methoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine
CID 104545912
1-(5-chloro-2-methoxyphenyl)-N-methyl-1-thiophen-3-ylmethanamine
CID 62791195
1-(5-bromo-2-chlorophenyl)-1-(5-chloro-2-methoxyphenyl)-N-methylmethanamine
CID 104545863
1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine
CID 61319375

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-N-methyl-1-pyrimidin-2-ylmethanamine?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-N-methyl-1-pyrimidin-2-ylmethanamine (CID 62791218) is 1-(5-chloro-2-methoxyphenyl)-N-methyl-1-pyrimidin-2-ylmethanamine.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-N-methyl-1-pyrimidin-2-ylmethanamine?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-N-methyl-1-pyrimidin-2-ylmethanamine is CNC(c1ncccn1)c1cc(Cl)ccc1OC.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-N-methyl-1-pyrimidin-2-ylmethanamine?
The InChIKey is QGDVGVKEPXDPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-15-12(13-16-6-3-7-17-13)10-8-9(14)4-5-11(10)18-2/h3-8,12,15H,1-2H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-N-methyl-1-pyrimidin-2-ylmethanamine?
1-(5-chloro-2-methoxyphenyl)-N-methyl-1-pyrimidin-2-ylmethanamine has a molecular weight of 263.73 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-N-methyl-1-pyrimidin-2-ylmethanamine is sourced from PubChem (CID 62791218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).