[3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]methanol

C11H15ClFN3O — CID 135244643

IUPAC[3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]methanol
SMILESOCC1CCCC(Nc2nc(Cl)ncc2F)C1
InChIInChI=1S/C11H15ClFN3O/c12-11-14-5-9(13)10(16-11)15-8-3-1-2-7(4-8)6-17/h5,7-8,17H,1-4,6H2,(H,14,15,16)
InChIKeyZYXXZSQRUSHYFY-UHFFFAOYSA-N
MW259.71 g/mol
LogP2.23
Rot. Bonds3

About [3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]methanol

[3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]methanol (PubChem CID 135244643) has the molecular formula C11H15ClFN3O and a molecular weight of 259.71 g/mol. Its IUPAC name is [3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]methanol
PubChem CID135244643
Molecular FormulaC11H15ClFN3O
Molecular Weight259.71 g/mol
Exact Mass259.09
IUPAC Name[3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]methanol
SMILESOCC1CCCC(Nc2nc(Cl)ncc2F)C1
InChIInChI=1S/C11H15ClFN3O/c12-11-14-5-9(13)10(16-11)15-8-3-1-2-7(4-8)6-17/h5,7-8,17H,1-4,6H2,(H,14,15,16)
InChIKeyZYXXZSQRUSHYFY-UHFFFAOYSA-N
XLogP2.23
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]methanol?
The IUPAC name of [3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]methanol (CID 135244643) is [3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]methanol.
What is the SMILES notation for [3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]methanol?
The canonical SMILES for [3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]methanol is OCC1CCCC(Nc2nc(Cl)ncc2F)C1.
What is the InChIKey of [3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]methanol?
The InChIKey is ZYXXZSQRUSHYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFN3O/c12-11-14-5-9(13)10(16-11)15-8-3-1-2-7(4-8)6-17/h5,7-8,17H,1-4,6H2,(H,14,15,16).
What are the key properties of [3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]methanol?
[3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]methanol has a molecular weight of 259.71 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]methanol is sourced from PubChem (CID 135244643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).