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

C12H12ClFN4 — CID 80934192

IUPAC4-N-(5-chloro-2-fluorophenyl)-2-ethylpyrimidine-4,6-diamine
SMILESCCc1nc(N)cc(Nc2cc(Cl)ccc2F)n1
InChIInChI=1S/C12H12ClFN4/c1-2-11-17-10(15)6-12(18-11)16-9-5-7(13)3-4-8(9)14/h3-6H,2H2,1H3,(H3,15,16,17,18)
InChIKeyQETXRELQRJNSKC-UHFFFAOYSA-N
MW266.71 g/mol
LogP3.16
Rot. Bonds3

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

4-N-(5-chloro-2-fluorophenyl)-2-ethylpyrimidine-4,6-diamine (PubChem CID 80934192) has the molecular formula C12H12ClFN4 and a molecular weight of 266.71 g/mol. Its IUPAC name is 4-N-(5-chloro-2-fluorophenyl)-2-ethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(5-chloro-2-fluorophenyl)-2-ethylpyrimidine-4,6-diamine
PubChem CID80934192
Molecular FormulaC12H12ClFN4
Molecular Weight266.71 g/mol
Exact Mass266.07
IUPAC Name4-N-(5-chloro-2-fluorophenyl)-2-ethylpyrimidine-4,6-diamine
SMILESCCc1nc(N)cc(Nc2cc(Cl)ccc2F)n1
InChIInChI=1S/C12H12ClFN4/c1-2-11-17-10(15)6-12(18-11)16-9-5-7(13)3-4-8(9)14/h3-6H,2H2,1H3,(H3,15,16,17,18)
InChIKeyQETXRELQRJNSKC-UHFFFAOYSA-N
XLogP3.16
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.71
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-(5-chloro-2-fluorophenyl)-2-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

4-N-(5-chloro-2-fluorophenyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80933034
2-ethyl-4-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 80940771
4-N-(5-chloro-2-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80934267
4-N-(5-chloro-2-fluorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770731
N-(5-bromo-2-fluorophenyl)-6-chloro-2-ethylpyrimidin-4-amine
CID 80936781
4-N-(4-chloro-2-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80934644
4-N-(5-chloro-2-fluorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80940121
4-N-[(3-chloro-4-fluorophenyl)methyl]-2-ethylpyrimidine-4,6-diamine
CID 80934899
4-N-(3,5-difluorophenyl)-2-ethylpyrimidine-4,6-diamine
CID 80933085
4-N-(2,5-dichlorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80933323
N-(2,4-dichlorophenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80937232
4-N-(4-bromo-2-ethylphenyl)-2-ethylpyrimidine-4,6-diamine
CID 81289211

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-chloro-2-fluorophenyl)-2-ethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(5-chloro-2-fluorophenyl)-2-ethylpyrimidine-4,6-diamine (CID 80934192) is 4-N-(5-chloro-2-fluorophenyl)-2-ethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(5-chloro-2-fluorophenyl)-2-ethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(5-chloro-2-fluorophenyl)-2-ethylpyrimidine-4,6-diamine is CCc1nc(N)cc(Nc2cc(Cl)ccc2F)n1.
What is the InChIKey of 4-N-(5-chloro-2-fluorophenyl)-2-ethylpyrimidine-4,6-diamine?
The InChIKey is QETXRELQRJNSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN4/c1-2-11-17-10(15)6-12(18-11)16-9-5-7(13)3-4-8(9)14/h3-6H,2H2,1H3,(H3,15,16,17,18).
What are the key properties of 4-N-(5-chloro-2-fluorophenyl)-2-ethylpyrimidine-4,6-diamine?
4-N-(5-chloro-2-fluorophenyl)-2-ethylpyrimidine-4,6-diamine has a molecular weight of 266.71 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-chloro-2-fluorophenyl)-2-ethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80934192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).