4-[(2-chloro-6-phenylpyrimidin-4-yl)amino]cyclohexan-1-ol;ethane

C18H24ClN3O — CID 143206200

IUPAC4-[(2-chloro-6-phenylpyrimidin-4-yl)amino]cyclohexan-1-ol;ethane
SMILESCC.OC1CCC(Nc2cc(-c3ccccc3)nc(Cl)n2)CC1
InChIInChI=1S/C16H18ClN3O.C2H6/c17-16-19-14(11-4-2-1-3-5-11)10-15(20-16)18-12-6-8-13(21)9-7-12;1-2/h1-5,10,12-13,21H,6-9H2,(H,18,19,20);1-2H3
InChIKeyGWFATLYCQHCFNL-UHFFFAOYSA-N
MW333.86 g/mol
LogP4.54
Rot. Bonds3

About 4-[(2-chloro-6-phenylpyrimidin-4-yl)amino]cyclohexan-1-ol;ethane

4-[(2-chloro-6-phenylpyrimidin-4-yl)amino]cyclohexan-1-ol;ethane (PubChem CID 143206200) has the molecular formula C18H24ClN3O and a molecular weight of 333.86 g/mol. Its IUPAC name is 4-[(2-chloro-6-phenylpyrimidin-4-yl)amino]cyclohexan-1-ol;ethane.

Molecular Properties

Compound Name4-[(2-chloro-6-phenylpyrimidin-4-yl)amino]cyclohexan-1-ol;ethane
PubChem CID143206200
Molecular FormulaC18H24ClN3O
Molecular Weight333.86 g/mol
Exact Mass333.16
IUPAC Name4-[(2-chloro-6-phenylpyrimidin-4-yl)amino]cyclohexan-1-ol;ethane
SMILESCC.OC1CCC(Nc2cc(-c3ccccc3)nc(Cl)n2)CC1
InChIInChI=1S/C16H18ClN3O.C2H6/c17-16-19-14(11-4-2-1-3-5-11)10-15(20-16)18-12-6-8-13(21)9-7-12;1-2/h1-5,10,12-13,21H,6-9H2,(H,18,19,20);1-2H3
InChIKeyGWFATLYCQHCFNL-UHFFFAOYSA-N
XLogP4.54
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-6-phenylpyrimidin-4-yl)amino]cyclohexan-1-ol;ethane?
The IUPAC name of 4-[(2-chloro-6-phenylpyrimidin-4-yl)amino]cyclohexan-1-ol;ethane (CID 143206200) is 4-[(2-chloro-6-phenylpyrimidin-4-yl)amino]cyclohexan-1-ol;ethane.
What is the SMILES notation for 4-[(2-chloro-6-phenylpyrimidin-4-yl)amino]cyclohexan-1-ol;ethane?
The canonical SMILES for 4-[(2-chloro-6-phenylpyrimidin-4-yl)amino]cyclohexan-1-ol;ethane is CC.OC1CCC(Nc2cc(-c3ccccc3)nc(Cl)n2)CC1.
What is the InChIKey of 4-[(2-chloro-6-phenylpyrimidin-4-yl)amino]cyclohexan-1-ol;ethane?
The InChIKey is GWFATLYCQHCFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O.C2H6/c17-16-19-14(11-4-2-1-3-5-11)10-15(20-16)18-12-6-8-13(21)9-7-12;1-2/h1-5,10,12-13,21H,6-9H2,(H,18,19,20);1-2H3.
What are the key properties of 4-[(2-chloro-6-phenylpyrimidin-4-yl)amino]cyclohexan-1-ol;ethane?
4-[(2-chloro-6-phenylpyrimidin-4-yl)amino]cyclohexan-1-ol;ethane has a molecular weight of 333.86 g/mol, XLogP of 4.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-6-phenylpyrimidin-4-yl)amino]cyclohexan-1-ol;ethane is sourced from PubChem (CID 143206200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).