(2R)-2-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol

C11H15ClFN3O — CID 126687066

IUPAC(2R)-2-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
SMILESOC1CCCC[C@@H]1CNc1nc(Cl)ncc1F
InChIInChI=1S/C11H15ClFN3O/c12-11-15-6-8(13)10(16-11)14-5-7-3-1-2-4-9(7)17/h6-7,9,17H,1-5H2,(H,14,15,16)/t7-,9?/m1/s1
InChIKeyIPJGTFMUYYFXBR-YOXFSPIKSA-N
MW259.71 g/mol
LogP2.23
Rot. Bonds3

About (2R)-2-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol

(2R)-2-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 126687066) has the molecular formula C11H15ClFN3O and a molecular weight of 259.71 g/mol. Its IUPAC name is (2R)-2-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
PubChem CID126687066
Molecular FormulaC11H15ClFN3O
Molecular Weight259.71 g/mol
Exact Mass259.09
IUPAC Name(2R)-2-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
SMILESOC1CCCC[C@@H]1CNc1nc(Cl)ncc1F
InChIInChI=1S/C11H15ClFN3O/c12-11-15-6-8(13)10(16-11)14-5-7-3-1-2-4-9(7)17/h6-7,9,17H,1-5H2,(H,14,15,16)/t7-,9?/m1/s1
InChIKeyIPJGTFMUYYFXBR-YOXFSPIKSA-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 (2R)-2-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of (2R)-2-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol (CID 126687066) is (2R)-2-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for (2R)-2-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for (2R)-2-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol is OC1CCCC[C@@H]1CNc1nc(Cl)ncc1F.
What is the InChIKey of (2R)-2-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is IPJGTFMUYYFXBR-YOXFSPIKSA-N. The full InChI is InChI=1S/C11H15ClFN3O/c12-11-15-6-8(13)10(16-11)14-5-7-3-1-2-4-9(7)17/h6-7,9,17H,1-5H2,(H,14,15,16)/t7-,9?/m1/s1.
What are the key properties of (2R)-2-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
(2R)-2-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol 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 (2R)-2-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 126687066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).