N-[(2-bromo-5-fluorophenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine

C13H13BrFN3O — CID 66325616

IUPACN-[(2-bromo-5-fluorophenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine
SMILESCOc1ncnc(NCc2cc(F)ccc2Br)c1C
InChIInChI=1S/C13H13BrFN3O/c1-8-12(17-7-18-13(8)19-2)16-6-9-5-10(15)3-4-11(9)14/h3-5,7H,6H2,1-2H3,(H,16,17,18)
InChIKeyYBMJWBBVQFXFLU-UHFFFAOYSA-N
MW326.17 g/mol
LogP3.31
Rot. Bonds4

About N-[(2-bromo-5-fluorophenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine

N-[(2-bromo-5-fluorophenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine (PubChem CID 66325616) has the molecular formula C13H13BrFN3O and a molecular weight of 326.17 g/mol. Its IUPAC name is N-[(2-bromo-5-fluorophenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-bromo-5-fluorophenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine
PubChem CID66325616
Molecular FormulaC13H13BrFN3O
Molecular Weight326.17 g/mol
Exact Mass325.02
IUPAC NameN-[(2-bromo-5-fluorophenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine
SMILESCOc1ncnc(NCc2cc(F)ccc2Br)c1C
InChIInChI=1S/C13H13BrFN3O/c1-8-12(17-7-18-13(8)19-2)16-6-9-5-10(15)3-4-11(9)14/h3-5,7H,6H2,1-2H3,(H,16,17,18)
InChIKeyYBMJWBBVQFXFLU-UHFFFAOYSA-N
XLogP3.31
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.17
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2-bromo-5-fluorophenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-amino-2-methoxyphenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine
CID 66332143
6-(2-bromo-4-fluorophenoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 80862655
N-[(2-bromo-5-fluorophenyl)methyl]-4,6-dimethoxypyrimidin-2-amine
CID 115354999
6-methoxy-5-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 66327251
6-methoxy-5-methyl-N-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine
CID 66327266
N-[(2-chloro-6-methoxyphenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine
CID 103292944
6-methoxy-5-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine
CID 66325637
N-[(2-bromo-5-fluorophenyl)methyl]-3-fluoro-4-methoxyaniline
CID 43380826
N-[(3-aminophenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine
CID 66332146
N-[(2-bromo-5-fluorophenyl)methyl]-6-propan-2-ylpyrimidin-4-amine
CID 61240558
N-[(2-bromo-5-fluorophenyl)methyl]-5-fluoro-2-methylaniline
CID 28532250
6-methoxy-5-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 66324994

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine?
The IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine (CID 66325616) is N-[(2-bromo-5-fluorophenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine.
What is the SMILES notation for N-[(2-bromo-5-fluorophenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine?
The canonical SMILES for N-[(2-bromo-5-fluorophenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine is COc1ncnc(NCc2cc(F)ccc2Br)c1C.
What is the InChIKey of N-[(2-bromo-5-fluorophenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine?
The InChIKey is YBMJWBBVQFXFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN3O/c1-8-12(17-7-18-13(8)19-2)16-6-9-5-10(15)3-4-11(9)14/h3-5,7H,6H2,1-2H3,(H,16,17,18).
What are the key properties of N-[(2-bromo-5-fluorophenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine?
N-[(2-bromo-5-fluorophenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine has a molecular weight of 326.17 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-fluorophenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine is sourced from PubChem (CID 66325616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).