4-[(4-chloro-6-imidazol-1-ylpyrimidin-2-yl)amino]cyclohexan-1-ol

C13H16ClN5O — CID 169246352

IUPAC4-[(4-chloro-6-imidazol-1-ylpyrimidin-2-yl)amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nc(Cl)cc(-n3ccnc3)n2)CC1
InChIInChI=1S/C13H16ClN5O/c14-11-7-12(19-6-5-15-8-19)18-13(17-11)16-9-1-3-10(20)4-2-9/h5-10,20H,1-4H2,(H,16,17,18)
InChIKeyJASGLEPJJHPXDZ-UHFFFAOYSA-N
MW293.76 g/mol
LogP2.03
Rot. Bonds3

About 4-[(4-chloro-6-imidazol-1-ylpyrimidin-2-yl)amino]cyclohexan-1-ol

4-[(4-chloro-6-imidazol-1-ylpyrimidin-2-yl)amino]cyclohexan-1-ol (PubChem CID 169246352) has the molecular formula C13H16ClN5O and a molecular weight of 293.76 g/mol. Its IUPAC name is 4-[(4-chloro-6-imidazol-1-ylpyrimidin-2-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(4-chloro-6-imidazol-1-ylpyrimidin-2-yl)amino]cyclohexan-1-ol
PubChem CID169246352
Molecular FormulaC13H16ClN5O
Molecular Weight293.76 g/mol
Exact Mass293.10
IUPAC Name4-[(4-chloro-6-imidazol-1-ylpyrimidin-2-yl)amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nc(Cl)cc(-n3ccnc3)n2)CC1
InChIInChI=1S/C13H16ClN5O/c14-11-7-12(19-6-5-15-8-19)18-13(17-11)16-9-1-3-10(20)4-2-9/h5-10,20H,1-4H2,(H,16,17,18)
InChIKeyJASGLEPJJHPXDZ-UHFFFAOYSA-N
XLogP2.03
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.76
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[(4-chloro-6-imidazol-1-ylpyrimidin-2-yl)amino]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-6-imidazol-1-ylpyrimidin-2-yl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(4-chloro-6-imidazol-1-ylpyrimidin-2-yl)amino]cyclohexan-1-ol (CID 169246352) is 4-[(4-chloro-6-imidazol-1-ylpyrimidin-2-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(4-chloro-6-imidazol-1-ylpyrimidin-2-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(4-chloro-6-imidazol-1-ylpyrimidin-2-yl)amino]cyclohexan-1-ol is OC1CCC(Nc2nc(Cl)cc(-n3ccnc3)n2)CC1.
What is the InChIKey of 4-[(4-chloro-6-imidazol-1-ylpyrimidin-2-yl)amino]cyclohexan-1-ol?
The InChIKey is JASGLEPJJHPXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5O/c14-11-7-12(19-6-5-15-8-19)18-13(17-11)16-9-1-3-10(20)4-2-9/h5-10,20H,1-4H2,(H,16,17,18).
What are the key properties of 4-[(4-chloro-6-imidazol-1-ylpyrimidin-2-yl)amino]cyclohexan-1-ol?
4-[(4-chloro-6-imidazol-1-ylpyrimidin-2-yl)amino]cyclohexan-1-ol has a molecular weight of 293.76 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-6-imidazol-1-ylpyrimidin-2-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 169246352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).