2-N-(4-fluorophenyl)-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine

C22H17FN4O — CID 112903553

IUPAC2-N-(4-fluorophenyl)-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
SMILESFc1ccc(Nc2nccc(Nc3ccc(Oc4ccccc4)cc3)n2)cc1
InChIInChI=1S/C22H17FN4O/c23-16-6-8-18(9-7-16)26-22-24-15-14-21(27-22)25-17-10-12-20(13-11-17)28-19-4-2-1-3-5-19/h1-15H,(H2,24,25,26,27)
InChIKeyXQGQNGUEQZIEDU-UHFFFAOYSA-N
MW372.40 g/mol
LogP5.90
Rot. Bonds6

About 2-N-(4-fluorophenyl)-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine

2-N-(4-fluorophenyl)-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine (PubChem CID 112903553) has the molecular formula C22H17FN4O and a molecular weight of 372.40 g/mol. Its IUPAC name is 2-N-(4-fluorophenyl)-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-fluorophenyl)-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
PubChem CID112903553
Molecular FormulaC22H17FN4O
Molecular Weight372.40 g/mol
Exact Mass372.14
IUPAC Name2-N-(4-fluorophenyl)-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
SMILESFc1ccc(Nc2nccc(Nc3ccc(Oc4ccccc4)cc3)n2)cc1
InChIInChI=1S/C22H17FN4O/c23-16-6-8-18(9-7-16)26-22-24-15-14-21(27-22)25-17-10-12-20(13-11-17)28-19-4-2-1-3-5-19/h1-15H,(H2,24,25,26,27)
InChIKeyXQGQNGUEQZIEDU-UHFFFAOYSA-N
XLogP5.90
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.40
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-(4-phenoxyanilino)pyrimidin-2-yl]amino]benzonitrile
CID 112906255
1-[4-[[2-(4-phenoxyanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112905673
2-N-butyl-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112883119
2-N-(4-phenoxyphenyl)-4-N-prop-2-enylpyrimidine-2,4-diamine
CID 112882615
4-N-(2-methylpropyl)-2-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112883295
2-N-[2-(dimethylamino)ethyl]-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112887236
4-N-(3-fluorophenyl)-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine
CID 112906273
4-N-(2-methoxyethyl)-2-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112885806
[4-(4-phenoxyanilino)pyrimidin-2-yl]methanol
CID 175988564
4-N-[(2-methoxyphenyl)methyl]-2-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112892223
N-[4-(4-fluorophenoxy)phenyl]quinolin-2-amine
CID 146295745
2-N-methyl-4-N-(4-phenoxyphenyl)-2-N-phenylpyrimidine-2,4-diamine
CID 112902142

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-fluorophenyl)-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(4-fluorophenyl)-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine (CID 112903553) is 2-N-(4-fluorophenyl)-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(4-fluorophenyl)-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(4-fluorophenyl)-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine is Fc1ccc(Nc2nccc(Nc3ccc(Oc4ccccc4)cc3)n2)cc1.
What is the InChIKey of 2-N-(4-fluorophenyl)-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is XQGQNGUEQZIEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O/c23-16-6-8-18(9-7-16)26-22-24-15-14-21(27-22)25-17-10-12-20(13-11-17)28-19-4-2-1-3-5-19/h1-15H,(H2,24,25,26,27).
What are the key properties of 2-N-(4-fluorophenyl)-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine?
2-N-(4-fluorophenyl)-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 372.40 g/mol, XLogP of 5.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-fluorophenyl)-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112903553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).