4-[(5-naphthalen-2-yl-4-phenylpyrimidin-2-yl)amino]cyclohexan-1-ol

C26H25N3O — CID 134148336

IUPAC4-[(5-naphthalen-2-yl-4-phenylpyrimidin-2-yl)amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2ncc(-c3ccc4ccccc4c3)c(-c3ccccc3)n2)CC1
InChIInChI=1S/C26H25N3O/c30-23-14-12-22(13-15-23)28-26-27-17-24(25(29-26)19-7-2-1-3-8-19)21-11-10-18-6-4-5-9-20(18)16-21/h1-11,16-17,22-23,30H,12-15H2,(H,27,28,29)
InChIKeyZQDPBVRIRZFYKQ-UHFFFAOYSA-N
MW395.51 g/mol
LogP5.68
Rot. Bonds4

About 4-[(5-naphthalen-2-yl-4-phenylpyrimidin-2-yl)amino]cyclohexan-1-ol

4-[(5-naphthalen-2-yl-4-phenylpyrimidin-2-yl)amino]cyclohexan-1-ol (PubChem CID 134148336) has the molecular formula C26H25N3O and a molecular weight of 395.51 g/mol. Its IUPAC name is 4-[(5-naphthalen-2-yl-4-phenylpyrimidin-2-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(5-naphthalen-2-yl-4-phenylpyrimidin-2-yl)amino]cyclohexan-1-ol
PubChem CID134148336
Molecular FormulaC26H25N3O
Molecular Weight395.51 g/mol
Exact Mass395.20
IUPAC Name4-[(5-naphthalen-2-yl-4-phenylpyrimidin-2-yl)amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2ncc(-c3ccc4ccccc4c3)c(-c3ccccc3)n2)CC1
InChIInChI=1S/C26H25N3O/c30-23-14-12-22(13-15-23)28-26-27-17-24(25(29-26)19-7-2-1-3-8-19)21-11-10-18-6-4-5-9-20(18)16-21/h1-11,16-17,22-23,30H,12-15H2,(H,27,28,29)
InChIKeyZQDPBVRIRZFYKQ-UHFFFAOYSA-N
XLogP5.68
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.51
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-naphthalen-2-yl-4-phenylpyrimidin-2-yl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(5-naphthalen-2-yl-4-phenylpyrimidin-2-yl)amino]cyclohexan-1-ol (CID 134148336) is 4-[(5-naphthalen-2-yl-4-phenylpyrimidin-2-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(5-naphthalen-2-yl-4-phenylpyrimidin-2-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(5-naphthalen-2-yl-4-phenylpyrimidin-2-yl)amino]cyclohexan-1-ol is OC1CCC(Nc2ncc(-c3ccc4ccccc4c3)c(-c3ccccc3)n2)CC1.
What is the InChIKey of 4-[(5-naphthalen-2-yl-4-phenylpyrimidin-2-yl)amino]cyclohexan-1-ol?
The InChIKey is ZQDPBVRIRZFYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O/c30-23-14-12-22(13-15-23)28-26-27-17-24(25(29-26)19-7-2-1-3-8-19)21-11-10-18-6-4-5-9-20(18)16-21/h1-11,16-17,22-23,30H,12-15H2,(H,27,28,29).
What are the key properties of 4-[(5-naphthalen-2-yl-4-phenylpyrimidin-2-yl)amino]cyclohexan-1-ol?
4-[(5-naphthalen-2-yl-4-phenylpyrimidin-2-yl)amino]cyclohexan-1-ol has a molecular weight of 395.51 g/mol, XLogP of 5.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-naphthalen-2-yl-4-phenylpyrimidin-2-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 134148336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).