4-N-benzyl-2-N-(2-fluorophenyl)-4-N-phenylpyrimidine-2,4-diamine

C23H19FN4 — CID 112903480

IUPAC4-N-benzyl-2-N-(2-fluorophenyl)-4-N-phenylpyrimidine-2,4-diamine
SMILESFc1ccccc1Nc1nccc(N(Cc2ccccc2)c2ccccc2)n1
InChIInChI=1S/C23H19FN4/c24-20-13-7-8-14-21(20)26-23-25-16-15-22(27-23)28(19-11-5-2-6-12-19)17-18-9-3-1-4-10-18/h1-16H,17H2,(H,25,26,27)
InChIKeyAQDUOGXVLQPGIA-UHFFFAOYSA-N
MW370.43 g/mol
LogP5.70
Rot. Bonds6

About 4-N-benzyl-2-N-(2-fluorophenyl)-4-N-phenylpyrimidine-2,4-diamine

4-N-benzyl-2-N-(2-fluorophenyl)-4-N-phenylpyrimidine-2,4-diamine (PubChem CID 112903480) has the molecular formula C23H19FN4 and a molecular weight of 370.43 g/mol. Its IUPAC name is 4-N-benzyl-2-N-(2-fluorophenyl)-4-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-benzyl-2-N-(2-fluorophenyl)-4-N-phenylpyrimidine-2,4-diamine
PubChem CID112903480
Molecular FormulaC23H19FN4
Molecular Weight370.43 g/mol
Exact Mass370.16
IUPAC Name4-N-benzyl-2-N-(2-fluorophenyl)-4-N-phenylpyrimidine-2,4-diamine
SMILESFc1ccccc1Nc1nccc(N(Cc2ccccc2)c2ccccc2)n1
InChIInChI=1S/C23H19FN4/c24-20-13-7-8-14-21(20)26-23-25-16-15-22(27-23)28(19-11-5-2-6-12-19)17-18-9-3-1-4-10-18/h1-16H,17H2,(H,25,26,27)
InChIKeyAQDUOGXVLQPGIA-UHFFFAOYSA-N
XLogP5.70
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.43
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-benzyl-4-N-ethyl-2-N-(2-fluorophenyl)pyrimidine-2,4-diamine
CID 112892945
4-N-benzyl-2-N-tert-butyl-4-N-phenylpyrimidine-2,4-diamine
CID 112899834
2-N-(2-bromophenyl)-4-N-ethyl-4-N-phenylpyrimidine-2,4-diamine
CID 112902939
4-N-benzyl-2-N-(2-chlorophenyl)-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112900027
4-N-ethyl-4-N-phenyl-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112902915
4-N-benzyl-4-N-methyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112890866
5-N-benzyl-3-N-(2-methylphenyl)-5-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112961909
methyl 2-[[4-(N-ethylanilino)pyrimidin-2-yl]amino]benzoate
CID 112902927
4-N-benzyl-4-N-methyl-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112890932
5-N-benzyl-3-N-(2-fluorophenyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112959398
4-N-benzyl-2-N-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112900009
4-N-benzyl-2-N-(2,3-dichlorophenyl)-4-N-ethylpyrimidine-2,4-diamine
CID 112893004

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-2-N-(2-fluorophenyl)-4-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-benzyl-2-N-(2-fluorophenyl)-4-N-phenylpyrimidine-2,4-diamine (CID 112903480) is 4-N-benzyl-2-N-(2-fluorophenyl)-4-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-benzyl-2-N-(2-fluorophenyl)-4-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-benzyl-2-N-(2-fluorophenyl)-4-N-phenylpyrimidine-2,4-diamine is Fc1ccccc1Nc1nccc(N(Cc2ccccc2)c2ccccc2)n1.
What is the InChIKey of 4-N-benzyl-2-N-(2-fluorophenyl)-4-N-phenylpyrimidine-2,4-diamine?
The InChIKey is AQDUOGXVLQPGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4/c24-20-13-7-8-14-21(20)26-23-25-16-15-22(27-23)28(19-11-5-2-6-12-19)17-18-9-3-1-4-10-18/h1-16H,17H2,(H,25,26,27).
What are the key properties of 4-N-benzyl-2-N-(2-fluorophenyl)-4-N-phenylpyrimidine-2,4-diamine?
4-N-benzyl-2-N-(2-fluorophenyl)-4-N-phenylpyrimidine-2,4-diamine has a molecular weight of 370.43 g/mol, XLogP of 5.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-2-N-(2-fluorophenyl)-4-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112903480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).