8-(6-chloro-2,5-dimethylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol

C13H18ClN3O — CID 55235101

IUPAC8-(6-chloro-2,5-dimethylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCc1nc(Cl)c(C)c(N2C3CCC2CC(O)C3)n1
InChIInChI=1S/C13H18ClN3O/c1-7-12(14)15-8(2)16-13(7)17-9-3-4-10(17)6-11(18)5-9/h9-11,18H,3-6H2,1-2H3
InChIKeyPUWPWBLJKSVCHC-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.24
Rot. Bonds1

About 8-(6-chloro-2,5-dimethylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol

8-(6-chloro-2,5-dimethylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 55235101) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 8-(6-chloro-2,5-dimethylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-(6-chloro-2,5-dimethylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID55235101
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name8-(6-chloro-2,5-dimethylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCc1nc(Cl)c(C)c(N2C3CCC2CC(O)C3)n1
InChIInChI=1S/C13H18ClN3O/c1-7-12(14)15-8(2)16-13(7)17-9-3-4-10(17)6-11(18)5-9/h9-11,18H,3-6H2,1-2H3
InChIKeyPUWPWBLJKSVCHC-UHFFFAOYSA-N
XLogP2.24
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(6-chloro-2,5-dimethylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-(6-chloro-2,5-dimethylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol (CID 55235101) is 8-(6-chloro-2,5-dimethylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-(6-chloro-2,5-dimethylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-(6-chloro-2,5-dimethylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol is Cc1nc(Cl)c(C)c(N2C3CCC2CC(O)C3)n1.
What is the InChIKey of 8-(6-chloro-2,5-dimethylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is PUWPWBLJKSVCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-7-12(14)15-8(2)16-13(7)17-9-3-4-10(17)6-11(18)5-9/h9-11,18H,3-6H2,1-2H3.
What are the key properties of 8-(6-chloro-2,5-dimethylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol?
8-(6-chloro-2,5-dimethylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 267.76 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-chloro-2,5-dimethylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 55235101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).