1-[2-(2-bromo-4-methylphenyl)-6-methylpyrimidin-4-yl]-N-methylmethanamine

C14H16BrN3 — CID 114015474

IUPAC1-[2-(2-bromo-4-methylphenyl)-6-methylpyrimidin-4-yl]-N-methylmethanamine
SMILESCNCc1cc(C)nc(-c2ccc(C)cc2Br)n1
InChIInChI=1S/C14H16BrN3/c1-9-4-5-12(13(15)6-9)14-17-10(2)7-11(18-14)8-16-3/h4-7,16H,8H2,1-3H3
InChIKeyFXJNXWAGRWRBJV-UHFFFAOYSA-N
MW306.21 g/mol
LogP3.24
Rot. Bonds3

About 1-[2-(2-bromo-4-methylphenyl)-6-methylpyrimidin-4-yl]-N-methylmethanamine

1-[2-(2-bromo-4-methylphenyl)-6-methylpyrimidin-4-yl]-N-methylmethanamine (PubChem CID 114015474) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is 1-[2-(2-bromo-4-methylphenyl)-6-methylpyrimidin-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(2-bromo-4-methylphenyl)-6-methylpyrimidin-4-yl]-N-methylmethanamine
PubChem CID114015474
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC Name1-[2-(2-bromo-4-methylphenyl)-6-methylpyrimidin-4-yl]-N-methylmethanamine
SMILESCNCc1cc(C)nc(-c2ccc(C)cc2Br)n1
InChIInChI=1S/C14H16BrN3/c1-9-4-5-12(13(15)6-9)14-17-10(2)7-11(18-14)8-16-3/h4-7,16H,8H2,1-3H3
InChIKeyFXJNXWAGRWRBJV-UHFFFAOYSA-N
XLogP3.24
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(2-bromo-4-methylphenyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine
CID 107915637
N-[[2-(2-bromo-4-methylphenyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine
CID 107915641
2-[2-(2-bromo-4-methylphenyl)pyrimidin-4-yl]ethanamine
CID 107915607
3-(2-bromo-4-methylphenyl)-N-methyl-1,2,4-oxadiazol-5-amine
CID 107915493
N-[[2-(2-bromo-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114015458
1-[6-[(2-bromo-4-methylphenoxy)methyl]-2-pyridinyl]-N-methylmethanamine
CID 106908164
1-[4-bromo-6-(methylaminomethyl)-2-pyridinyl]-N-methylmethanamine
CID 70648411
1-[2-[(3-bromophenyl)methyl]-6-methylpyrimidin-4-yl]-N-methylmethanamine
CID 62741909
(1S)-1-[2-(2-bromo-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanamine
CID 107915584
1-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 114015509
2-(4,6-dimethylpyrimidin-2-yl)-4-methylaniline
CID 82471042
1-(3-bromo-6-methyl-2-pyridinyl)-N-methylmethanamine
CID 83886539

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromo-4-methylphenyl)-6-methylpyrimidin-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(2-bromo-4-methylphenyl)-6-methylpyrimidin-4-yl]-N-methylmethanamine (CID 114015474) is 1-[2-(2-bromo-4-methylphenyl)-6-methylpyrimidin-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(2-bromo-4-methylphenyl)-6-methylpyrimidin-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(2-bromo-4-methylphenyl)-6-methylpyrimidin-4-yl]-N-methylmethanamine is CNCc1cc(C)nc(-c2ccc(C)cc2Br)n1.
What is the InChIKey of 1-[2-(2-bromo-4-methylphenyl)-6-methylpyrimidin-4-yl]-N-methylmethanamine?
The InChIKey is FXJNXWAGRWRBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c1-9-4-5-12(13(15)6-9)14-17-10(2)7-11(18-14)8-16-3/h4-7,16H,8H2,1-3H3.
What are the key properties of 1-[2-(2-bromo-4-methylphenyl)-6-methylpyrimidin-4-yl]-N-methylmethanamine?
1-[2-(2-bromo-4-methylphenyl)-6-methylpyrimidin-4-yl]-N-methylmethanamine has a molecular weight of 306.21 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bromo-4-methylphenyl)-6-methylpyrimidin-4-yl]-N-methylmethanamine is sourced from PubChem (CID 114015474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).