4-N-(2-chlorophenyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine

C13H14ClFN4 — CID 80761320

IUPAC4-N-(2-chlorophenyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(F)c(Nc2ccccc2Cl)n1
InChIInChI=1S/C13H14ClFN4/c1-2-7-16-13-17-8-10(15)12(19-13)18-11-6-4-3-5-9(11)14/h3-6,8H,2,7H2,1H3,(H2,16,17,18,19)
InChIKeyUGTDIGKXSXEDCT-UHFFFAOYSA-N
MW280.73 g/mol
LogP3.83
Rot. Bonds5

About 4-N-(2-chlorophenyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine

4-N-(2-chlorophenyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80761320) has the molecular formula C13H14ClFN4 and a molecular weight of 280.73 g/mol. Its IUPAC name is 4-N-(2-chlorophenyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-chlorophenyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
PubChem CID80761320
Molecular FormulaC13H14ClFN4
Molecular Weight280.73 g/mol
Exact Mass280.09
IUPAC Name4-N-(2-chlorophenyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(F)c(Nc2ccccc2Cl)n1
InChIInChI=1S/C13H14ClFN4/c1-2-7-16-13-17-8-10(15)12(19-13)18-11-6-4-3-5-9(11)14/h3-6,8H,2,7H2,1H3,(H2,16,17,18,19)
InChIKeyUGTDIGKXSXEDCT-UHFFFAOYSA-N
XLogP3.83
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.73
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2,3-dichlorophenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80755406
5-chloro-4-N-(2,3-dichlorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80754901
4-N-(5-chloro-2-methoxyphenyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80737026
5-chloro-4-N-(4-chloro-2-fluorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80800384
5-chloro-4-N-(2,4-dichlorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80759449
4-N-(2-chlorophenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80760295
4-N-(2-chlorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 84501147
5-bromo-4-N-(2-chlorophenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80760864
5-chloro-4-N-phenyl-2-N-propylpyrimidine-2,4-diamine
CID 80768239
4-N-(5-bromo-4-fluoro-2-methylphenyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 107594445
5-chloro-4-N-(5-fluoro-2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80762137
2-N-ethyl-5-fluoro-4-N-(2,4,5-trichlorophenyl)pyrimidine-2,4-diamine
CID 80760195

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-chlorophenyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-chlorophenyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine (CID 80761320) is 4-N-(2-chlorophenyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-chlorophenyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-chlorophenyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine is CCCNc1ncc(F)c(Nc2ccccc2Cl)n1.
What is the InChIKey of 4-N-(2-chlorophenyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is UGTDIGKXSXEDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN4/c1-2-7-16-13-17-8-10(15)12(19-13)18-11-6-4-3-5-9(11)14/h3-6,8H,2,7H2,1H3,(H2,16,17,18,19).
What are the key properties of 4-N-(2-chlorophenyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine?
4-N-(2-chlorophenyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 280.73 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-chlorophenyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80761320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).