4-[[4-chloro-6-(4-fluoropiperidin-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol

C15H22ClFN4O — CID 169246468

IUPAC4-[[4-chloro-6-(4-fluoropiperidin-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nc(Cl)cc(N3CCC(F)CC3)n2)CC1
InChIInChI=1S/C15H22ClFN4O/c16-13-9-14(21-7-5-10(17)6-8-21)20-15(19-13)18-11-1-3-12(22)4-2-11/h9-12,22H,1-8H2,(H,18,19,20)
InChIKeyNTKIFNWMFAHWEY-UHFFFAOYSA-N
MW328.82 g/mol
LogP2.78
Rot. Bonds3

About 4-[[4-chloro-6-(4-fluoropiperidin-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol

4-[[4-chloro-6-(4-fluoropiperidin-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol (PubChem CID 169246468) has the molecular formula C15H22ClFN4O and a molecular weight of 328.82 g/mol. Its IUPAC name is 4-[[4-chloro-6-(4-fluoropiperidin-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[4-chloro-6-(4-fluoropiperidin-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol
PubChem CID169246468
Molecular FormulaC15H22ClFN4O
Molecular Weight328.82 g/mol
Exact Mass328.15
IUPAC Name4-[[4-chloro-6-(4-fluoropiperidin-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nc(Cl)cc(N3CCC(F)CC3)n2)CC1
InChIInChI=1S/C15H22ClFN4O/c16-13-9-14(21-7-5-10(17)6-8-21)20-15(19-13)18-11-1-3-12(22)4-2-11/h9-12,22H,1-8H2,(H,18,19,20)
InChIKeyNTKIFNWMFAHWEY-UHFFFAOYSA-N
XLogP2.78
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.82
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-chloro-6-(4-fluoropiperidin-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[4-chloro-6-(4-fluoropiperidin-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol (CID 169246468) is 4-[[4-chloro-6-(4-fluoropiperidin-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[4-chloro-6-(4-fluoropiperidin-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[4-chloro-6-(4-fluoropiperidin-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol is OC1CCC(Nc2nc(Cl)cc(N3CCC(F)CC3)n2)CC1.
What is the InChIKey of 4-[[4-chloro-6-(4-fluoropiperidin-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol?
The InChIKey is NTKIFNWMFAHWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClFN4O/c16-13-9-14(21-7-5-10(17)6-8-21)20-15(19-13)18-11-1-3-12(22)4-2-11/h9-12,22H,1-8H2,(H,18,19,20).
What are the key properties of 4-[[4-chloro-6-(4-fluoropiperidin-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol?
4-[[4-chloro-6-(4-fluoropiperidin-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol has a molecular weight of 328.82 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-chloro-6-(4-fluoropiperidin-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 169246468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).