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

C22H19FN6 — CID 19149049

IUPAC4-N-benzyl-6-N-(4-fluorophenyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
SMILESNc1c(Nc2ccc(F)cc2)ncnc1N(Cc1ccccc1)c1ccccn1
InChIInChI=1S/C22H19FN6/c23-17-9-11-18(12-10-17)28-21-20(24)22(27-15-26-21)29(19-8-4-5-13-25-19)14-16-6-2-1-3-7-16/h1-13,15H,14,24H2,(H,26,27,28)
InChIKeyIWZOCVWSJDIHKI-UHFFFAOYSA-N
MW386.43 g/mol
LogP4.67
Rot. Bonds6

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

4-N-benzyl-6-N-(4-fluorophenyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine (PubChem CID 19149049) has the molecular formula C22H19FN6 and a molecular weight of 386.43 g/mol. Its IUPAC name is 4-N-benzyl-6-N-(4-fluorophenyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-benzyl-6-N-(4-fluorophenyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
PubChem CID19149049
Molecular FormulaC22H19FN6
Molecular Weight386.43 g/mol
Exact Mass386.17
IUPAC Name4-N-benzyl-6-N-(4-fluorophenyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
SMILESNc1c(Nc2ccc(F)cc2)ncnc1N(Cc1ccccc1)c1ccccn1
InChIInChI=1S/C22H19FN6/c23-17-9-11-18(12-10-17)28-21-20(24)22(27-15-26-21)29(19-8-4-5-13-25-19)14-16-6-2-1-3-7-16/h1-13,15H,14,24H2,(H,26,27,28)
InChIKeyIWZOCVWSJDIHKI-UHFFFAOYSA-N
XLogP4.67
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-benzyl-6-N-[(4-fluorophenyl)methyl]-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
CID 19153504
4-N-benzyl-6-N-(2,3-dimethylphenyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
CID 19143230
4-N-benzyl-6-N-(4-chloro-2-methylphenyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
CID 22546509
4-N-benzyl-6-N-(2-methoxyethyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
CID 19150486
4-N-benzyl-6-N-(4-methyl-1,3-benzothiazol-2-yl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
CID 19150031
4-N-benzyl-6-N,6-N-diethyl-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
CID 19136839
N'-[5-amino-6-[benzyl(pyridin-2-yl)amino]pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 19152191
4-N-benzyl-6-N-(6-methyl-1,3-benzothiazol-2-yl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
CID 19150124
6-N-(4-fluorophenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine
CID 19144474
4-N-benzyl-5-nitro-4-N-pyridin-2-yl-6-N-pyridin-4-ylpyrimidine-4,6-diamine
CID 23482076
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

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-6-N-(4-fluorophenyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-benzyl-6-N-(4-fluorophenyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine (CID 19149049) is 4-N-benzyl-6-N-(4-fluorophenyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-benzyl-6-N-(4-fluorophenyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-benzyl-6-N-(4-fluorophenyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine is Nc1c(Nc2ccc(F)cc2)ncnc1N(Cc1ccccc1)c1ccccn1.
What is the InChIKey of 4-N-benzyl-6-N-(4-fluorophenyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine?
The InChIKey is IWZOCVWSJDIHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6/c23-17-9-11-18(12-10-17)28-21-20(24)22(27-15-26-21)29(19-8-4-5-13-25-19)14-16-6-2-1-3-7-16/h1-13,15H,14,24H2,(H,26,27,28).
What are the key properties of 4-N-benzyl-6-N-(4-fluorophenyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine?
4-N-benzyl-6-N-(4-fluorophenyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine has a molecular weight of 386.43 g/mol, XLogP of 4.67, 6 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)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 19149049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).