4-(1-benzylpyrazol-4-yl)-5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine

C26H21FN6 — CID 92575023

IUPAC4-(1-benzylpyrazol-4-yl)-5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
SMILESFc1ccc(-c2cnc(NCc3ccccn3)nc2-c2cnn(Cc3ccccc3)c2)cc1
InChIInChI=1S/C26H21FN6/c27-22-11-9-20(10-12-22)24-16-30-26(29-15-23-8-4-5-13-28-23)32-25(24)21-14-31-33(18-21)17-19-6-2-1-3-7-19/h1-14,16,18H,15,17H2,(H,29,30,32)
InChIKeyRADBFSCLSVLEHL-UHFFFAOYSA-N
MW436.49 g/mol
LogP5.20
Rot. Bonds7

About 4-(1-benzylpyrazol-4-yl)-5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine

4-(1-benzylpyrazol-4-yl)-5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine (PubChem CID 92575023) has the molecular formula C26H21FN6 and a molecular weight of 436.49 g/mol. Its IUPAC name is 4-(1-benzylpyrazol-4-yl)-5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(1-benzylpyrazol-4-yl)-5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
PubChem CID92575023
Molecular FormulaC26H21FN6
Molecular Weight436.49 g/mol
Exact Mass436.18
IUPAC Name4-(1-benzylpyrazol-4-yl)-5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
SMILESFc1ccc(-c2cnc(NCc3ccccn3)nc2-c2cnn(Cc3ccccc3)c2)cc1
InChIInChI=1S/C26H21FN6/c27-22-11-9-20(10-12-22)24-16-30-26(29-15-23-8-4-5-13-28-23)32-25(24)21-14-31-33(18-21)17-19-6-2-1-3-7-19/h1-14,16,18H,15,17H2,(H,29,30,32)
InChIKeyRADBFSCLSVLEHL-UHFFFAOYSA-N
XLogP5.20
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.49
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-fluoro-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 115749808
1-benzyl-N-[(4-fluorophenyl)methyl]pyrazol-4-amine
CID 60930766
5-(4-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]-4-pyridin-4-ylpyrimidin-2-amine
CID 23000432
4-(4-chlorophenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxylic acid
CID 163349835
1-[4-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyrimidin-2-yl]-3-(pyridin-2-ylmethyl)urea
CID 154971356
2-chloro-5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 87519051
1-[(4-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
CID 53333432
4-N-[(4-fluorophenyl)methyl]-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112937000
2-(1-benzylpyrazol-4-yl)aniline
CID 63338467
N-benzyl-2-[4-(pyridin-2-ylmethylamino)phenyl]aniline
CID 141085353
4-(1-benzylpyrazol-4-yl)imidazole-1,5-diamine
CID 131010627
1-[(1-benzylpyrazol-4-yl)methyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine
CID 111193788

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzylpyrazol-4-yl)-5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 4-(1-benzylpyrazol-4-yl)-5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine (CID 92575023) is 4-(1-benzylpyrazol-4-yl)-5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(1-benzylpyrazol-4-yl)-5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(1-benzylpyrazol-4-yl)-5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine is Fc1ccc(-c2cnc(NCc3ccccn3)nc2-c2cnn(Cc3ccccc3)c2)cc1.
What is the InChIKey of 4-(1-benzylpyrazol-4-yl)-5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine?
The InChIKey is RADBFSCLSVLEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN6/c27-22-11-9-20(10-12-22)24-16-30-26(29-15-23-8-4-5-13-28-23)32-25(24)21-14-31-33(18-21)17-19-6-2-1-3-7-19/h1-14,16,18H,15,17H2,(H,29,30,32).
What are the key properties of 4-(1-benzylpyrazol-4-yl)-5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine?
4-(1-benzylpyrazol-4-yl)-5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine has a molecular weight of 436.49 g/mol, XLogP of 5.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzylpyrazol-4-yl)-5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 92575023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).