1-(2,3-dichlorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine

C12H11Cl2N3 — CID 115827336

IUPAC1-(2,3-dichlorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
SMILESCNC(c1cncnc1)c1cccc(Cl)c1Cl
InChIInChI=1S/C12H11Cl2N3/c1-15-12(8-5-16-7-17-6-8)9-3-2-4-10(13)11(9)14/h2-7,12,15H,1H3
InChIKeyYQYBRAMKPUOIHA-UHFFFAOYSA-N
MW268.15 g/mol
LogP3.09
Rot. Bonds3

About 1-(2,3-dichlorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine

1-(2,3-dichlorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine (PubChem CID 115827336) has the molecular formula C12H11Cl2N3 and a molecular weight of 268.15 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
PubChem CID115827336
Molecular FormulaC12H11Cl2N3
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC Name1-(2,3-dichlorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
SMILESCNC(c1cncnc1)c1cccc(Cl)c1Cl
InChIInChI=1S/C12H11Cl2N3/c1-15-12(8-5-16-7-17-6-8)9-3-2-4-10(13)11(9)14/h2-7,12,15H,1H3
InChIKeyYQYBRAMKPUOIHA-UHFFFAOYSA-N
XLogP3.09
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,3-dichlorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 115827211
1-(2,3-dichlorophenyl)-1-(4-ethylphenyl)-N-methylmethanamine
CID 43484734
1-(3-chloro-2-pyridinyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 103444180
1-(2-bromo-3-methylphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 114024192
1-(2-chloro-4-methylphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 106857167
1-(5-bromo-2-chlorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 115827656
1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 102923909
1-(2-bromophenyl)-1-(2,3-dichlorophenyl)-N-methylmethanamine
CID 63417166
[(2,3-dichlorophenyl)-(5-methoxy-3-pyridinyl)methyl]hydrazine
CID 105329733
1-(2-chloro-6-fluorophenyl)-1-(2,3-dichlorophenyl)-N-methylmethanamine
CID 115851434
1-(2,3-dichlorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine
CID 115853395
1-(2,6-difluorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 79522798

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine?
The IUPAC name of 1-(2,3-dichlorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine (CID 115827336) is 1-(2,3-dichlorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine is CNC(c1cncnc1)c1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine?
The InChIKey is YQYBRAMKPUOIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3/c1-15-12(8-5-16-7-17-6-8)9-3-2-4-10(13)11(9)14/h2-7,12,15H,1H3.
What are the key properties of 1-(2,3-dichlorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine?
1-(2,3-dichlorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine has a molecular weight of 268.15 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine is sourced from PubChem (CID 115827336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).