1-(5-bromo-2-chlorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine

C12H11BrClN3 — CID 115827656

IUPAC1-(5-bromo-2-chlorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
SMILESCNC(c1cncnc1)c1cc(Br)ccc1Cl
InChIInChI=1S/C12H11BrClN3/c1-15-12(8-5-16-7-17-6-8)10-4-9(13)2-3-11(10)14/h2-7,12,15H,1H3
InChIKeyILEUFDNAXYGLQI-UHFFFAOYSA-N
MW312.60 g/mol
LogP3.20
Rot. Bonds3

About 1-(5-bromo-2-chlorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine

1-(5-bromo-2-chlorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine (PubChem CID 115827656) has the molecular formula C12H11BrClN3 and a molecular weight of 312.60 g/mol. Its IUPAC name is 1-(5-bromo-2-chlorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-chlorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
PubChem CID115827656
Molecular FormulaC12H11BrClN3
Molecular Weight312.60 g/mol
Exact Mass310.98
IUPAC Name1-(5-bromo-2-chlorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
SMILESCNC(c1cncnc1)c1cc(Br)ccc1Cl
InChIInChI=1S/C12H11BrClN3/c1-15-12(8-5-16-7-17-6-8)10-4-9(13)2-3-11(10)14/h2-7,12,15H,1H3
InChIKeyILEUFDNAXYGLQI-UHFFFAOYSA-N
XLogP3.20
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.60
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-4-methylphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 106857167
(5-bromo-2-chlorophenyl)-pyrimidin-5-ylmethanol
CID 115781626
1-(5-bromo-2-chlorophenyl)-1-(4-tert-butylphenyl)-N-methylmethanamine
CID 43484397
1-(5-bromo-3-pyridinyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine
CID 43486642
1-(3-bromophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 62491207
1-(2,3-dichlorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 115827336
1-(5-bromo-2-chlorophenyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
CID 43481853
1-(5-bromo-2-chlorophenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 115808196
1-(5-bromo-2-chlorophenyl)-1-(5-bromo-2-methoxyphenyl)-N-methylmethanamine
CID 43480017
1-(5-bromo-2-chlorophenyl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine
CID 103302141
1-(5-bromo-2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylmethanamine
CID 43483271
1-(4-bromo-2-chlorophenyl)-N-methyl-1-phenylmethanamine
CID 43805215

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-chlorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine?
The IUPAC name of 1-(5-bromo-2-chlorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine (CID 115827656) is 1-(5-bromo-2-chlorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine.
What is the SMILES notation for 1-(5-bromo-2-chlorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine?
The canonical SMILES for 1-(5-bromo-2-chlorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine is CNC(c1cncnc1)c1cc(Br)ccc1Cl.
What is the InChIKey of 1-(5-bromo-2-chlorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine?
The InChIKey is ILEUFDNAXYGLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN3/c1-15-12(8-5-16-7-17-6-8)10-4-9(13)2-3-11(10)14/h2-7,12,15H,1H3.
What are the key properties of 1-(5-bromo-2-chlorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine?
1-(5-bromo-2-chlorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine has a molecular weight of 312.60 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-chlorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine is sourced from PubChem (CID 115827656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).