4-N-(5-bromo-2-fluorophenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine

C15H16BrFN4 — CID 80960649

IUPAC4-N-(5-bromo-2-fluorophenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
SMILESCCNc1cc(Nc2cc(Br)ccc2F)nc(C2CC2)n1
InChIInChI=1S/C15H16BrFN4/c1-2-18-13-8-14(21-15(20-13)9-3-4-9)19-12-7-10(16)5-6-11(12)17/h5-9H,2-4H2,1H3,(H2,18,19,20,21)
InChIKeyXAEPYHDRIUGBOT-UHFFFAOYSA-N
MW351.22 g/mol
LogP4.43
Rot. Bonds5

About 4-N-(5-bromo-2-fluorophenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine

4-N-(5-bromo-2-fluorophenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine (PubChem CID 80960649) has the molecular formula C15H16BrFN4 and a molecular weight of 351.22 g/mol. Its IUPAC name is 4-N-(5-bromo-2-fluorophenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(5-bromo-2-fluorophenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
PubChem CID80960649
Molecular FormulaC15H16BrFN4
Molecular Weight351.22 g/mol
Exact Mass350.05
IUPAC Name4-N-(5-bromo-2-fluorophenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
SMILESCCNc1cc(Nc2cc(Br)ccc2F)nc(C2CC2)n1
InChIInChI=1S/C15H16BrFN4/c1-2-18-13-8-14(21-15(20-13)9-3-4-9)19-12-7-10(16)5-6-11(12)17/h5-9H,2-4H2,1H3,(H2,18,19,20,21)
InChIKeyXAEPYHDRIUGBOT-UHFFFAOYSA-N
XLogP4.43
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.22
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-(5-bromo-2-fluorophenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine 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

2-cyclopropyl-6-N-ethyl-4-N-(3-fluoro-2-methylphenyl)pyrimidine-4,6-diamine
CID 80962039
2-cyclopropyl-6-N-ethyl-4-N-(4-fluoro-3-methylphenyl)pyrimidine-4,6-diamine
CID 80958676
4-N-(5-bromo-2-fluorophenyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 80788165
4-N-(5-bromo-2-fluorophenyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80787761
4-N-(2-chloro-4-methylphenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
CID 80957024
6-(4-bromophenyl)-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80952338
4-N-(5-bromo-2-fluorophenyl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80776553
2-cyclopropyl-4-N-(2,3-dimethylphenyl)-6-N-ethylpyrimidine-4,6-diamine
CID 80956506
6-(3-bromophenyl)sulfanyl-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80963648
4-N-(2-chloro-5-methylphenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
CID 107638910
2-cyclopropyl-6-(3,4-difluorophenyl)sulfanyl-N-ethylpyrimidin-4-amine
CID 80962814
4-N-(4-bromo-2-fluorophenyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80955572

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-bromo-2-fluorophenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(5-bromo-2-fluorophenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine (CID 80960649) is 4-N-(5-bromo-2-fluorophenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(5-bromo-2-fluorophenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(5-bromo-2-fluorophenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine is CCNc1cc(Nc2cc(Br)ccc2F)nc(C2CC2)n1.
What is the InChIKey of 4-N-(5-bromo-2-fluorophenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine?
The InChIKey is XAEPYHDRIUGBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN4/c1-2-18-13-8-14(21-15(20-13)9-3-4-9)19-12-7-10(16)5-6-11(12)17/h5-9H,2-4H2,1H3,(H2,18,19,20,21).
What are the key properties of 4-N-(5-bromo-2-fluorophenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine?
4-N-(5-bromo-2-fluorophenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine has a molecular weight of 351.22 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-bromo-2-fluorophenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80960649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).