3-[2-(cyclohexylamino)pyrimidin-5-yl]-N-[(4-fluorophenyl)methyl]benzamide

C24H25FN4O — CID 53010659

IUPAC3-[2-(cyclohexylamino)pyrimidin-5-yl]-N-[(4-fluorophenyl)methyl]benzamide
SMILESO=C(NCc1ccc(F)cc1)c1cccc(-c2cnc(NC3CCCCC3)nc2)c1
InChIInChI=1S/C24H25FN4O/c25-21-11-9-17(10-12-21)14-26-23(30)19-6-4-5-18(13-19)20-15-27-24(28-16-20)29-22-7-2-1-3-8-22/h4-6,9-13,15-16,22H,1-3,7-8,14H2,(H,26,30)(H,27,28,29)
InChIKeyFSLBALVNCSFDOF-UHFFFAOYSA-N
MW404.49 g/mol
LogP4.96
Rot. Bonds6

About 3-[2-(cyclohexylamino)pyrimidin-5-yl]-N-[(4-fluorophenyl)methyl]benzamide

3-[2-(cyclohexylamino)pyrimidin-5-yl]-N-[(4-fluorophenyl)methyl]benzamide (PubChem CID 53010659) has the molecular formula C24H25FN4O and a molecular weight of 404.49 g/mol. Its IUPAC name is 3-[2-(cyclohexylamino)pyrimidin-5-yl]-N-[(4-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name3-[2-(cyclohexylamino)pyrimidin-5-yl]-N-[(4-fluorophenyl)methyl]benzamide
PubChem CID53010659
Molecular FormulaC24H25FN4O
Molecular Weight404.49 g/mol
Exact Mass404.20
IUPAC Name3-[2-(cyclohexylamino)pyrimidin-5-yl]-N-[(4-fluorophenyl)methyl]benzamide
SMILESO=C(NCc1ccc(F)cc1)c1cccc(-c2cnc(NC3CCCCC3)nc2)c1
InChIInChI=1S/C24H25FN4O/c25-21-11-9-17(10-12-21)14-26-23(30)19-6-4-5-18(13-19)20-15-27-24(28-16-20)29-22-7-2-1-3-8-22/h4-6,9-13,15-16,22H,1-3,7-8,14H2,(H,26,30)(H,27,28,29)
InChIKeyFSLBALVNCSFDOF-UHFFFAOYSA-N
XLogP4.96
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclohexylamino)pyrimidin-5-yl]-N-[(4-fluorophenyl)methyl]benzamide?
The IUPAC name of 3-[2-(cyclohexylamino)pyrimidin-5-yl]-N-[(4-fluorophenyl)methyl]benzamide (CID 53010659) is 3-[2-(cyclohexylamino)pyrimidin-5-yl]-N-[(4-fluorophenyl)methyl]benzamide.
What is the SMILES notation for 3-[2-(cyclohexylamino)pyrimidin-5-yl]-N-[(4-fluorophenyl)methyl]benzamide?
The canonical SMILES for 3-[2-(cyclohexylamino)pyrimidin-5-yl]-N-[(4-fluorophenyl)methyl]benzamide is O=C(NCc1ccc(F)cc1)c1cccc(-c2cnc(NC3CCCCC3)nc2)c1.
What is the InChIKey of 3-[2-(cyclohexylamino)pyrimidin-5-yl]-N-[(4-fluorophenyl)methyl]benzamide?
The InChIKey is FSLBALVNCSFDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O/c25-21-11-9-17(10-12-21)14-26-23(30)19-6-4-5-18(13-19)20-15-27-24(28-16-20)29-22-7-2-1-3-8-22/h4-6,9-13,15-16,22H,1-3,7-8,14H2,(H,26,30)(H,27,28,29).
What are the key properties of 3-[2-(cyclohexylamino)pyrimidin-5-yl]-N-[(4-fluorophenyl)methyl]benzamide?
3-[2-(cyclohexylamino)pyrimidin-5-yl]-N-[(4-fluorophenyl)methyl]benzamide has a molecular weight of 404.49 g/mol, XLogP of 4.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclohexylamino)pyrimidin-5-yl]-N-[(4-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 53010659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).