5-chloro-2-N-ethyl-4-N-(4-fluorophenyl)pyrimidine-2,4-diamine

C12H12ClFN4 — CID 80760360

IUPAC5-chloro-2-N-ethyl-4-N-(4-fluorophenyl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(Cl)c(Nc2ccc(F)cc2)n1
InChIInChI=1S/C12H12ClFN4/c1-2-15-12-16-7-10(13)11(18-12)17-9-5-3-8(14)4-6-9/h3-7H,2H2,1H3,(H2,15,16,17,18)
InChIKeyXKAIYLHDIIXFGO-UHFFFAOYSA-N
MW266.71 g/mol
LogP3.44
Rot. Bonds4

About 5-chloro-2-N-ethyl-4-N-(4-fluorophenyl)pyrimidine-2,4-diamine

5-chloro-2-N-ethyl-4-N-(4-fluorophenyl)pyrimidine-2,4-diamine (PubChem CID 80760360) has the molecular formula C12H12ClFN4 and a molecular weight of 266.71 g/mol. Its IUPAC name is 5-chloro-2-N-ethyl-4-N-(4-fluorophenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-2-N-ethyl-4-N-(4-fluorophenyl)pyrimidine-2,4-diamine
PubChem CID80760360
Molecular FormulaC12H12ClFN4
Molecular Weight266.71 g/mol
Exact Mass266.07
IUPAC Name5-chloro-2-N-ethyl-4-N-(4-fluorophenyl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(Cl)c(Nc2ccc(F)cc2)n1
InChIInChI=1S/C12H12ClFN4/c1-2-15-12-16-7-10(13)11(18-12)17-9-5-3-8(14)4-6-9/h3-7H,2H2,1H3,(H2,15,16,17,18)
InChIKeyXKAIYLHDIIXFGO-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

5-chloro-4-N-(4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80761316
4-N-(4-chlorophenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80761361
5-chloro-2-N-ethyl-4-N-(3-methylsulfanylphenyl)pyrimidine-2,4-diamine
CID 80767890
5-chloro-4-N-(2,4-dichlorophenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80760116
5-chloro-2-N-ethyl-4-N-(2,3,5,6-tetrafluorophenyl)pyrimidine-2,4-diamine
CID 107647139
5-chloro-2-N-ethyl-4-N-(2,4,5-trifluorophenyl)pyrimidine-2,4-diamine
CID 80824592
5-chloro-4-N-(2,3-difluorophenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80797692
2-N-ethyl-5-fluoro-4-N-(4-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 80768448
5-chloro-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine
CID 80769890
4-N-(4-bromo-3-methoxyphenyl)-5-chloro-2-N-ethylpyrimidine-2,4-diamine
CID 82862437
4-N-(4-tert-butylphenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80736680
5-chloro-4-N-phenyl-2-N-propylpyrimidine-2,4-diamine
CID 80768239

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N-ethyl-4-N-(4-fluorophenyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-2-N-ethyl-4-N-(4-fluorophenyl)pyrimidine-2,4-diamine (CID 80760360) is 5-chloro-2-N-ethyl-4-N-(4-fluorophenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-2-N-ethyl-4-N-(4-fluorophenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-2-N-ethyl-4-N-(4-fluorophenyl)pyrimidine-2,4-diamine is CCNc1ncc(Cl)c(Nc2ccc(F)cc2)n1.
What is the InChIKey of 5-chloro-2-N-ethyl-4-N-(4-fluorophenyl)pyrimidine-2,4-diamine?
The InChIKey is XKAIYLHDIIXFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN4/c1-2-15-12-16-7-10(13)11(18-12)17-9-5-3-8(14)4-6-9/h3-7H,2H2,1H3,(H2,15,16,17,18).
What are the key properties of 5-chloro-2-N-ethyl-4-N-(4-fluorophenyl)pyrimidine-2,4-diamine?
5-chloro-2-N-ethyl-4-N-(4-fluorophenyl)pyrimidine-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 5-chloro-2-N-ethyl-4-N-(4-fluorophenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80760360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).