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

C16H12ClFN4 — CID 70702128

IUPAC4-N-(2-chlorophenyl)-5-fluoro-2-N-phenylpyrimidine-2,4-diamine
SMILESFc1cnc(Nc2ccccc2)nc1Nc1ccccc1Cl
InChIInChI=1S/C16H12ClFN4/c17-12-8-4-5-9-14(12)21-15-13(18)10-19-16(22-15)20-11-6-2-1-3-7-11/h1-10H,(H2,19,20,21,22)
InChIKeyWDVBUDQGXBFWKL-UHFFFAOYSA-N
MW314.75 g/mol
LogP4.76
Rot. Bonds4

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

4-N-(2-chlorophenyl)-5-fluoro-2-N-phenylpyrimidine-2,4-diamine (PubChem CID 70702128) has the molecular formula C16H12ClFN4 and a molecular weight of 314.75 g/mol. Its IUPAC name is 4-N-(2-chlorophenyl)-5-fluoro-2-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-chlorophenyl)-5-fluoro-2-N-phenylpyrimidine-2,4-diamine
PubChem CID70702128
Molecular FormulaC16H12ClFN4
Molecular Weight314.75 g/mol
Exact Mass314.07
IUPAC Name4-N-(2-chlorophenyl)-5-fluoro-2-N-phenylpyrimidine-2,4-diamine
SMILESFc1cnc(Nc2ccccc2)nc1Nc1ccccc1Cl
InChIInChI=1S/C16H12ClFN4/c17-12-8-4-5-9-14(12)21-15-13(18)10-19-16(22-15)20-11-6-2-1-3-7-11/h1-10H,(H2,19,20,21,22)
InChIKeyWDVBUDQGXBFWKL-UHFFFAOYSA-N
XLogP4.76
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.75
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Bisanilinopyrimidine, 9h
CID 70702155
Bisanilinopyrimidine, 9i
CID 70702156
Bisanilinopyrimidine, 9j
CID 70702157
Bisanilinopyrimidine, 9k
CID 70702158
1-(2-Chlorophenyl)-3-(pyridin-2-yl)thiourea
CID 972361
2-N,4-N-diphenylpyrimidine-2,4-diamine
CID 948954
8-(2-Chlorophenylamino)-2-(2,6-difluorophenylamino)-9-ethyl-9H-purine-1,7-diium
CID 6852209
5-fluoro-2-N,4-N-diphenylpyrimidine-2,4-diamine
CID 667926
5-fluoro-N,N'-bis(3-methylphenyl)pyrimidine-2,4-diamine
CID 802952
5-fluoro-N,N'-bis(4-fluorophenyl)pyrimidine-2,4-diamine
CID 954308
N-(2-chlorophenyl)-4-(1H-pyrrol-1-yl)-1,3,5-triazin-2-amine
CID 2730361
Bisanilinopyrimidine, 9d
CID 70702151

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-chlorophenyl)-5-fluoro-2-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-chlorophenyl)-5-fluoro-2-N-phenylpyrimidine-2,4-diamine (CID 70702128) is 4-N-(2-chlorophenyl)-5-fluoro-2-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-chlorophenyl)-5-fluoro-2-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-chlorophenyl)-5-fluoro-2-N-phenylpyrimidine-2,4-diamine is Fc1cnc(Nc2ccccc2)nc1Nc1ccccc1Cl.
What is the InChIKey of 4-N-(2-chlorophenyl)-5-fluoro-2-N-phenylpyrimidine-2,4-diamine?
The InChIKey is WDVBUDQGXBFWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN4/c17-12-8-4-5-9-14(12)21-15-13(18)10-19-16(22-15)20-11-6-2-1-3-7-11/h1-10H,(H2,19,20,21,22).
What are the key properties of 4-N-(2-chlorophenyl)-5-fluoro-2-N-phenylpyrimidine-2,4-diamine?
4-N-(2-chlorophenyl)-5-fluoro-2-N-phenylpyrimidine-2,4-diamine has a molecular weight of 314.75 g/mol, XLogP of 4.76, 4 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-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 70702128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).