N-[1-(3-bromo-4-methoxyphenyl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine

C15H17BrFN3O — CID 133432283

IUPACN-[1-(3-bromo-4-methoxyphenyl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine
SMILESCCc1ncnc(NC(C)c2ccc(OC)c(Br)c2)c1F
InChIInChI=1S/C15H17BrFN3O/c1-4-12-14(17)15(19-8-18-12)20-9(2)10-5-6-13(21-3)11(16)7-10/h5-9H,4H2,1-3H3,(H,18,19,20)
InChIKeyVMIHJCVCSKUIHQ-UHFFFAOYSA-N
MW354.22 g/mol
LogP4.12
Rot. Bonds5

About N-[1-(3-bromo-4-methoxyphenyl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine

N-[1-(3-bromo-4-methoxyphenyl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine (PubChem CID 133432283) has the molecular formula C15H17BrFN3O and a molecular weight of 354.22 g/mol. Its IUPAC name is N-[1-(3-bromo-4-methoxyphenyl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(3-bromo-4-methoxyphenyl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine
PubChem CID133432283
Molecular FormulaC15H17BrFN3O
Molecular Weight354.22 g/mol
Exact Mass353.05
IUPAC NameN-[1-(3-bromo-4-methoxyphenyl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine
SMILESCCc1ncnc(NC(C)c2ccc(OC)c(Br)c2)c1F
InChIInChI=1S/C15H17BrFN3O/c1-4-12-14(17)15(19-8-18-12)20-9(2)10-5-6-13(21-3)11(16)7-10/h5-9H,4H2,1-3H3,(H,18,19,20)
InChIKeyVMIHJCVCSKUIHQ-UHFFFAOYSA-N
XLogP4.12
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.22
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(3-bromo-4-methoxyphenyl)ethyl]-6-ethyl-5-fluoropyrimidin-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-[1-(3-bromo-4-methoxyphenyl)ethyl]-2,3,4-trifluoroaniline
CID 43759521
6-ethyl-5-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]pyrimidin-4-amine
CID 133418376
(1R)-1-(3-bromo-4-methoxyphenyl)-N-ethylethanamine
CID 164536532
4-bromo-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-fluoroaniline
CID 43759736
2-bromo-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-4,6-difluoroaniline
CID 43775014
N-[1-(3-bromo-4-methoxyphenyl)ethyl]aniline
CID 43756086
(1R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81350501
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3,5-dimethylaniline
CID 43763980
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-fluoro-5-methylaniline
CID 43772760
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-4-chloro-2-fluoroaniline
CID 43785070
1-(3-bromo-4-methoxyphenyl)ethylhydrazine
CID 82478801
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine
CID 107648855

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromo-4-methoxyphenyl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine?
The IUPAC name of N-[1-(3-bromo-4-methoxyphenyl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine (CID 133432283) is N-[1-(3-bromo-4-methoxyphenyl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine.
What is the SMILES notation for N-[1-(3-bromo-4-methoxyphenyl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine?
The canonical SMILES for N-[1-(3-bromo-4-methoxyphenyl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine is CCc1ncnc(NC(C)c2ccc(OC)c(Br)c2)c1F.
What is the InChIKey of N-[1-(3-bromo-4-methoxyphenyl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine?
The InChIKey is VMIHJCVCSKUIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFN3O/c1-4-12-14(17)15(19-8-18-12)20-9(2)10-5-6-13(21-3)11(16)7-10/h5-9H,4H2,1-3H3,(H,18,19,20).
What are the key properties of N-[1-(3-bromo-4-methoxyphenyl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine?
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine has a molecular weight of 354.22 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromo-4-methoxyphenyl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 133432283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).