5-bromo-2-(3-fluoro-4-methoxyphenyl)-6-propylpyrimidin-4-amine

C14H15BrFN3O — CID 66295747

IUPAC5-bromo-2-(3-fluoro-4-methoxyphenyl)-6-propylpyrimidin-4-amine
SMILESCCCc1nc(-c2ccc(OC)c(F)c2)nc(N)c1Br
InChIInChI=1S/C14H15BrFN3O/c1-3-4-10-12(15)13(17)19-14(18-10)8-5-6-11(20-2)9(16)7-8/h5-7H,3-4H2,1-2H3,(H2,17,18,19)
InChIKeyADAGNIBJELHJAI-UHFFFAOYSA-N
MW340.20 g/mol
LogP3.59
Rot. Bonds4

About 5-bromo-2-(3-fluoro-4-methoxyphenyl)-6-propylpyrimidin-4-amine

5-bromo-2-(3-fluoro-4-methoxyphenyl)-6-propylpyrimidin-4-amine (PubChem CID 66295747) has the molecular formula C14H15BrFN3O and a molecular weight of 340.20 g/mol. Its IUPAC name is 5-bromo-2-(3-fluoro-4-methoxyphenyl)-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(3-fluoro-4-methoxyphenyl)-6-propylpyrimidin-4-amine
PubChem CID66295747
Molecular FormulaC14H15BrFN3O
Molecular Weight340.20 g/mol
Exact Mass339.04
IUPAC Name5-bromo-2-(3-fluoro-4-methoxyphenyl)-6-propylpyrimidin-4-amine
SMILESCCCc1nc(-c2ccc(OC)c(F)c2)nc(N)c1Br
InChIInChI=1S/C14H15BrFN3O/c1-3-4-10-12(15)13(17)19-14(18-10)8-5-6-11(20-2)9(16)7-8/h5-7H,3-4H2,1-2H3,(H2,17,18,19)
InChIKeyADAGNIBJELHJAI-UHFFFAOYSA-N
XLogP3.59
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.20
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-2-(3-fluoro-4-methoxyphenyl)-6-propylpyrimidin-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

5-bromo-2-(3-fluoro-4-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 66303209
5-bromo-6-ethyl-2-(4-fluoro-3-methoxyphenyl)pyrimidin-4-amine
CID 107922881
2-(3-fluoro-4-methoxyphenyl)-5,6-dimethylpyrimidin-4-amine
CID 65101012
5-(4-amino-5-iodo-6-propylpyrimidin-2-yl)-2-methoxyphenol
CID 66295374
6-ethyl-2-(3-fluoro-4-methoxyphenyl)pyrimidin-4-amine
CID 65096029
5-bromo-2-(6-methoxypyridazin-3-yl)-6-propylpyrimidin-4-amine
CID 103375014
5-bromo-4-chloro-2-(4-chloro-3-fluorophenyl)-6-propylpyrimidine
CID 66311269
5-bromo-2-(3-chloro-4-fluorophenyl)-6-ethylpyrimidin-4-amine
CID 66300010
7-chloro-2-(3-fluoro-4-methoxyphenyl)quinazolin-4-amine
CID 64983945
2-(3-fluoro-4-methoxyphenyl)-6-methylquinazolin-4-amine
CID 64983821
N,6-diethyl-2-(3-fluoro-4-methoxyphenyl)-5-iodopyrimidin-4-amine
CID 66297351
4-(3-fluoro-4-methoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 83085161

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-fluoro-4-methoxyphenyl)-6-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(3-fluoro-4-methoxyphenyl)-6-propylpyrimidin-4-amine (CID 66295747) is 5-bromo-2-(3-fluoro-4-methoxyphenyl)-6-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(3-fluoro-4-methoxyphenyl)-6-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(3-fluoro-4-methoxyphenyl)-6-propylpyrimidin-4-amine is CCCc1nc(-c2ccc(OC)c(F)c2)nc(N)c1Br.
What is the InChIKey of 5-bromo-2-(3-fluoro-4-methoxyphenyl)-6-propylpyrimidin-4-amine?
The InChIKey is ADAGNIBJELHJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN3O/c1-3-4-10-12(15)13(17)19-14(18-10)8-5-6-11(20-2)9(16)7-8/h5-7H,3-4H2,1-2H3,(H2,17,18,19).
What are the key properties of 5-bromo-2-(3-fluoro-4-methoxyphenyl)-6-propylpyrimidin-4-amine?
5-bromo-2-(3-fluoro-4-methoxyphenyl)-6-propylpyrimidin-4-amine has a molecular weight of 340.20 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-fluoro-4-methoxyphenyl)-6-propylpyrimidin-4-amine is sourced from PubChem (CID 66295747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).