4-N-(4-chlorophenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine

C12H12ClFN4 — CID 80761361

IUPAC4-N-(4-chlorophenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
SMILESCCNc1ncc(F)c(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C12H12ClFN4/c1-2-15-12-16-7-10(14)11(18-12)17-9-5-3-8(13)4-6-9/h3-7H,2H2,1H3,(H2,15,16,17,18)
InChIKeyWZDIEVWQOBIUQO-UHFFFAOYSA-N
MW266.71 g/mol
LogP3.44
Rot. Bonds4

About 4-N-(4-chlorophenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine

4-N-(4-chlorophenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine (PubChem CID 80761361) has the molecular formula C12H12ClFN4 and a molecular weight of 266.71 g/mol. Its IUPAC name is 4-N-(4-chlorophenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-chlorophenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
PubChem CID80761361
Molecular FormulaC12H12ClFN4
Molecular Weight266.71 g/mol
Exact Mass266.07
IUPAC Name4-N-(4-chlorophenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
SMILESCCNc1ncc(F)c(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C12H12ClFN4/c1-2-15-12-16-7-10(14)11(18-12)17-9-5-3-8(13)4-6-9/h3-7H,2H2,1H3,(H2,15,16,17,18)
InChIKeyWZDIEVWQOBIUQO-UHFFFAOYSA-N
XLogP3.44
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.71
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-ethyl-5-fluoro-4-N-(4-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 80768448
4-N-(4-tert-butylphenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80736680
5-chloro-2-N-ethyl-4-N-(4-fluorophenyl)pyrimidine-2,4-diamine
CID 80760360
2-N-ethyl-5-fluoro-4-N-(2,4,5-trichlorophenyl)pyrimidine-2,4-diamine
CID 80760195
4-N-(2-bromo-5-chlorophenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 81271743
4-N-(2,3-dichlorophenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80755406
4-N-(4-bromo-3,5-dimethylphenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 107580670
4-N-(3-bromo-4-fluorophenyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 104781958
2-N-(4-amino-3-methylphenyl)-4-N-(4-chlorophenyl)-5-fluoropyrimidine-2,4-diamine
CID 142899048
4-N-(4-ethylphenyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80761999
5-fluoro-2-N,4-N-bis(4-fluorophenyl)pyrimidine-2,4-diamine
CID 954308
4-N-(2,3-dimethylphenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80762179

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-chlorophenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4-chlorophenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine (CID 80761361) is 4-N-(4-chlorophenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4-chlorophenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4-chlorophenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine is CCNc1ncc(F)c(Nc2ccc(Cl)cc2)n1.
What is the InChIKey of 4-N-(4-chlorophenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine?
The InChIKey is WZDIEVWQOBIUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN4/c1-2-15-12-16-7-10(14)11(18-12)17-9-5-3-8(13)4-6-9/h3-7H,2H2,1H3,(H2,15,16,17,18).
What are the key properties of 4-N-(4-chlorophenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine?
4-N-(4-chlorophenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine has a molecular weight of 266.71 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-chlorophenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine is sourced from PubChem (CID 80761361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).