2-[cyclohexyl-[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]ethanol

C13H21FN4O — CID 80810933

IUPAC2-[cyclohexyl-[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]ethanol
SMILESCNc1ncc(F)c(N(CCO)C2CCCCC2)n1
InChIInChI=1S/C13H21FN4O/c1-15-13-16-9-11(14)12(17-13)18(7-8-19)10-5-3-2-4-6-10/h9-10,19H,2-8H2,1H3,(H,15,16,17)
InChIKeyITWIHLBDYVMUJI-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.79
Rot. Bonds5

About 2-[cyclohexyl-[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]ethanol

2-[cyclohexyl-[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]ethanol (PubChem CID 80810933) has the molecular formula C13H21FN4O and a molecular weight of 268.34 g/mol. Its IUPAC name is 2-[cyclohexyl-[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclohexyl-[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]ethanol
PubChem CID80810933
Molecular FormulaC13H21FN4O
Molecular Weight268.34 g/mol
Exact Mass268.17
IUPAC Name2-[cyclohexyl-[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]ethanol
SMILESCNc1ncc(F)c(N(CCO)C2CCCCC2)n1
InChIInChI=1S/C13H21FN4O/c1-15-13-16-9-11(14)12(17-13)18(7-8-19)10-5-3-2-4-6-10/h9-10,19H,2-8H2,1H3,(H,15,16,17)
InChIKeyITWIHLBDYVMUJI-UHFFFAOYSA-N
XLogP1.79
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl-[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[cyclohexyl-[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]ethanol (CID 80810933) is 2-[cyclohexyl-[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[cyclohexyl-[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[cyclohexyl-[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]ethanol is CNc1ncc(F)c(N(CCO)C2CCCCC2)n1.
What is the InChIKey of 2-[cyclohexyl-[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]ethanol?
The InChIKey is ITWIHLBDYVMUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN4O/c1-15-13-16-9-11(14)12(17-13)18(7-8-19)10-5-3-2-4-6-10/h9-10,19H,2-8H2,1H3,(H,15,16,17).
What are the key properties of 2-[cyclohexyl-[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]ethanol?
2-[cyclohexyl-[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]ethanol has a molecular weight of 268.34 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl-[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 80810933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).