[2-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclopentyl]methanol

C11H15ClFN3O — CID 79076516

IUPAC[2-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
SMILESOCC1CCCC1CNc1nc(Cl)ncc1F
InChIInChI=1S/C11H15ClFN3O/c12-11-15-5-9(13)10(16-11)14-4-7-2-1-3-8(7)6-17/h5,7-8,17H,1-4,6H2,(H,14,15,16)
InChIKeyLOTBKKACMUNANF-UHFFFAOYSA-N
MW259.71 g/mol
LogP2.09
Rot. Bonds4

About [2-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclopentyl]methanol

[2-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclopentyl]methanol (PubChem CID 79076516) has the molecular formula C11H15ClFN3O and a molecular weight of 259.71 g/mol. Its IUPAC name is [2-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
PubChem CID79076516
Molecular FormulaC11H15ClFN3O
Molecular Weight259.71 g/mol
Exact Mass259.09
IUPAC Name[2-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
SMILESOCC1CCCC1CNc1nc(Cl)ncc1F
InChIInChI=1S/C11H15ClFN3O/c12-11-15-5-9(13)10(16-11)14-4-7-2-1-3-8(7)6-17/h5,7-8,17H,1-4,6H2,(H,14,15,16)
InChIKeyLOTBKKACMUNANF-UHFFFAOYSA-N
XLogP2.09
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclopentyl]methanol?
The IUPAC name of [2-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclopentyl]methanol (CID 79076516) is [2-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclopentyl]methanol.
What is the SMILES notation for [2-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclopentyl]methanol?
The canonical SMILES for [2-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclopentyl]methanol is OCC1CCCC1CNc1nc(Cl)ncc1F.
What is the InChIKey of [2-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclopentyl]methanol?
The InChIKey is LOTBKKACMUNANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFN3O/c12-11-15-5-9(13)10(16-11)14-4-7-2-1-3-8(7)6-17/h5,7-8,17H,1-4,6H2,(H,14,15,16).
What are the key properties of [2-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclopentyl]methanol?
[2-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclopentyl]methanol has a molecular weight of 259.71 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclopentyl]methanol is sourced from PubChem (CID 79076516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).