1-(3-bromophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine

C12H12BrN3 — CID 62491207

IUPAC1-(3-bromophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
SMILESCNC(c1cncnc1)c1cccc(Br)c1
InChIInChI=1S/C12H12BrN3/c1-14-12(10-6-15-8-16-7-10)9-3-2-4-11(13)5-9/h2-8,12,14H,1H3
InChIKeyANEJTICUQISXIM-UHFFFAOYSA-N
MW278.15 g/mol
LogP2.55
Rot. Bonds3

About 1-(3-bromophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine

1-(3-bromophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine (PubChem CID 62491207) has the molecular formula C12H12BrN3 and a molecular weight of 278.15 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
PubChem CID62491207
Molecular FormulaC12H12BrN3
Molecular Weight278.15 g/mol
Exact Mass277.02
IUPAC Name1-(3-bromophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
SMILESCNC(c1cncnc1)c1cccc(Br)c1
InChIInChI=1S/C12H12BrN3/c1-14-12(10-6-15-8-16-7-10)9-3-2-4-11(13)5-9/h2-8,12,14H,1H3
InChIKeyANEJTICUQISXIM-UHFFFAOYSA-N
XLogP2.55
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(3-methylphenyl)-1-pyrimidin-5-ylmethanamine
CID 62491535
1-(3-bromophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
CID 43486480
1-(3-bromo-5-fluorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 66425432
N-methyl-1-(3-propylphenyl)-1-pyrimidin-5-ylmethanamine
CID 102923924
1-(3-bromophenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine
CID 55115762
1-(5-bromo-2-chlorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 115827656
1-(3-bromophenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine
CID 65299050
1-(3-bromophenyl)-1-(furan-3-yl)-N-methylmethanamine
CID 63948375
1-[4-(aminomethyl)phenyl]-1-(3-bromophenyl)-N-methylmethanamine
CID 116952245
1-(3-bromophenyl)-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 43480640
1-(2-bromo-3-methylphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 114024192
1-(3-bromophenyl)-1-(4-bromothiophen-3-yl)-N-methylmethanamine
CID 79595205

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine?
The IUPAC name of 1-(3-bromophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine (CID 62491207) is 1-(3-bromophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine.
What is the SMILES notation for 1-(3-bromophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine?
The canonical SMILES for 1-(3-bromophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine is CNC(c1cncnc1)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine?
The InChIKey is ANEJTICUQISXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3/c1-14-12(10-6-15-8-16-7-10)9-3-2-4-11(13)5-9/h2-8,12,14H,1H3.
What are the key properties of 1-(3-bromophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine?
1-(3-bromophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine has a molecular weight of 278.15 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine is sourced from PubChem (CID 62491207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).