4-N-benzyl-6-N-[(4-fluorophenyl)methyl]-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine

C23H21FN6 — CID 19153504

IUPAC4-N-benzyl-6-N-[(4-fluorophenyl)methyl]-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
SMILESNc1c(NCc2ccc(F)cc2)ncnc1N(Cc1ccccc1)c1ccccn1
InChIInChI=1S/C23H21FN6/c24-19-11-9-17(10-12-19)14-27-22-21(25)23(29-16-28-22)30(20-8-4-5-13-26-20)15-18-6-2-1-3-7-18/h1-13,16H,14-15,25H2,(H,27,28,29)
InChIKeyRAVRPFRNWRZFTJ-UHFFFAOYSA-N
MW400.46 g/mol
LogP4.54
Rot. Bonds7

About 4-N-benzyl-6-N-[(4-fluorophenyl)methyl]-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine

4-N-benzyl-6-N-[(4-fluorophenyl)methyl]-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine (PubChem CID 19153504) has the molecular formula C23H21FN6 and a molecular weight of 400.46 g/mol. Its IUPAC name is 4-N-benzyl-6-N-[(4-fluorophenyl)methyl]-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-benzyl-6-N-[(4-fluorophenyl)methyl]-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
PubChem CID19153504
Molecular FormulaC23H21FN6
Molecular Weight400.46 g/mol
Exact Mass400.18
IUPAC Name4-N-benzyl-6-N-[(4-fluorophenyl)methyl]-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
SMILESNc1c(NCc2ccc(F)cc2)ncnc1N(Cc1ccccc1)c1ccccn1
InChIInChI=1S/C23H21FN6/c24-19-11-9-17(10-12-19)14-27-22-21(25)23(29-16-28-22)30(20-8-4-5-13-26-20)15-18-6-2-1-3-7-18/h1-13,16H,14-15,25H2,(H,27,28,29)
InChIKeyRAVRPFRNWRZFTJ-UHFFFAOYSA-N
XLogP4.54
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-benzyl-6-N-[(4-fluorophenyl)methyl]-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine with MolForge

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Related Compounds

4-N-benzyl-6-N-(4-fluorophenyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
CID 19149049
4-N-benzyl-6-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-4,5,6-triamine
CID 22539666
4-N-benzyl-6-N-(2-methoxyethyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
CID 19150486
4-N-benzyl-6-N-(2,3-dimethylphenyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
CID 19143230
N'-[5-amino-6-[benzyl(pyridin-2-yl)amino]pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 19152191
4-N-benzyl-6-N,6-N-diethyl-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
CID 19136839
4-N,4-N-dibenzyl-6-N-[(4-methylphenyl)methyl]pyrimidine-4,5,6-triamine
CID 19136416
4-N-benzyl-6-N-(4-chloro-2-methylphenyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
CID 22546509
N'-[5-amino-6-[benzyl(pyridin-2-yl)amino]pyrimidin-4-yl]-2-chlorobenzohydrazide
CID 19151321
4-N-benzyl-6-phenylsulfanyl-4-N-pyridin-2-ylpyrimidine-4,5-diamine
CID 19149747
N-benzyl-6-hydrazinyl-5-nitro-N-pyridin-2-ylpyrimidin-4-amine
CID 22534752
4-N-benzyl-6-N-(4-methyl-1,3-benzothiazol-2-yl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
CID 19150031

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-6-N-[(4-fluorophenyl)methyl]-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-benzyl-6-N-[(4-fluorophenyl)methyl]-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine (CID 19153504) is 4-N-benzyl-6-N-[(4-fluorophenyl)methyl]-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-benzyl-6-N-[(4-fluorophenyl)methyl]-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-benzyl-6-N-[(4-fluorophenyl)methyl]-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine is Nc1c(NCc2ccc(F)cc2)ncnc1N(Cc1ccccc1)c1ccccn1.
What is the InChIKey of 4-N-benzyl-6-N-[(4-fluorophenyl)methyl]-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine?
The InChIKey is RAVRPFRNWRZFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6/c24-19-11-9-17(10-12-19)14-27-22-21(25)23(29-16-28-22)30(20-8-4-5-13-26-20)15-18-6-2-1-3-7-18/h1-13,16H,14-15,25H2,(H,27,28,29).
What are the key properties of 4-N-benzyl-6-N-[(4-fluorophenyl)methyl]-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine?
4-N-benzyl-6-N-[(4-fluorophenyl)methyl]-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine has a molecular weight of 400.46 g/mol, XLogP of 4.54, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-6-N-[(4-fluorophenyl)methyl]-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 19153504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).