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

C14H17ClF4N4O2 — CID 169246366

IUPAC4-[[4-chloro-6-(2,2,6,6-tetrafluoromorpholin-4-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nc(Cl)cc(N3CC(F)(F)OC(F)(F)C3)n2)CC1
InChIInChI=1S/C14H17ClF4N4O2/c15-10-5-11(23-6-13(16,17)25-14(18,19)7-23)22-12(21-10)20-8-1-3-9(24)4-2-8/h5,8-9,24H,1-4,6-7H2,(H,20,21,22)
InChIKeyAMQYRBCXKUAFSW-UHFFFAOYSA-N
MW384.76 g/mol
LogP2.87
Rot. Bonds3

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

4-[[4-chloro-6-(2,2,6,6-tetrafluoromorpholin-4-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol (PubChem CID 169246366) has the molecular formula C14H17ClF4N4O2 and a molecular weight of 384.76 g/mol. Its IUPAC name is 4-[[4-chloro-6-(2,2,6,6-tetrafluoromorpholin-4-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[4-chloro-6-(2,2,6,6-tetrafluoromorpholin-4-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol
PubChem CID169246366
Molecular FormulaC14H17ClF4N4O2
Molecular Weight384.76 g/mol
Exact Mass384.10
IUPAC Name4-[[4-chloro-6-(2,2,6,6-tetrafluoromorpholin-4-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nc(Cl)cc(N3CC(F)(F)OC(F)(F)C3)n2)CC1
InChIInChI=1S/C14H17ClF4N4O2/c15-10-5-11(23-6-13(16,17)25-14(18,19)7-23)22-12(21-10)20-8-1-3-9(24)4-2-8/h5,8-9,24H,1-4,6-7H2,(H,20,21,22)
InChIKeyAMQYRBCXKUAFSW-UHFFFAOYSA-N
XLogP2.87
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.76
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-chloro-6-(2,2,6,6-tetrafluoromorpholin-4-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[4-chloro-6-(2,2,6,6-tetrafluoromorpholin-4-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol (CID 169246366) is 4-[[4-chloro-6-(2,2,6,6-tetrafluoromorpholin-4-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[4-chloro-6-(2,2,6,6-tetrafluoromorpholin-4-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[4-chloro-6-(2,2,6,6-tetrafluoromorpholin-4-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol is OC1CCC(Nc2nc(Cl)cc(N3CC(F)(F)OC(F)(F)C3)n2)CC1.
What is the InChIKey of 4-[[4-chloro-6-(2,2,6,6-tetrafluoromorpholin-4-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol?
The InChIKey is AMQYRBCXKUAFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF4N4O2/c15-10-5-11(23-6-13(16,17)25-14(18,19)7-23)22-12(21-10)20-8-1-3-9(24)4-2-8/h5,8-9,24H,1-4,6-7H2,(H,20,21,22).
What are the key properties of 4-[[4-chloro-6-(2,2,6,6-tetrafluoromorpholin-4-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol?
4-[[4-chloro-6-(2,2,6,6-tetrafluoromorpholin-4-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol has a molecular weight of 384.76 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-chloro-6-(2,2,6,6-tetrafluoromorpholin-4-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 169246366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).