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

C14H20ClN3O — CID 63768787

IUPAC8-(6-chloro-5-propan-2-ylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCC(C)c1c(Cl)ncnc1N1C2CCC1CC(O)C2
InChIInChI=1S/C14H20ClN3O/c1-8(2)12-13(15)16-7-17-14(12)18-9-3-4-10(18)6-11(19)5-9/h7-11,19H,3-6H2,1-2H3
InChIKeyJBTQMKFONHXFEF-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.75
Rot. Bonds2

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

8-(6-chloro-5-propan-2-ylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 63768787) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 8-(6-chloro-5-propan-2-ylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-(6-chloro-5-propan-2-ylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID63768787
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name8-(6-chloro-5-propan-2-ylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCC(C)c1c(Cl)ncnc1N1C2CCC1CC(O)C2
InChIInChI=1S/C14H20ClN3O/c1-8(2)12-13(15)16-7-17-14(12)18-9-3-4-10(18)6-11(19)5-9/h7-11,19H,3-6H2,1-2H3
InChIKeyJBTQMKFONHXFEF-UHFFFAOYSA-N
XLogP2.75
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(6-chloro-5-propan-2-ylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-(6-chloro-5-propan-2-ylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol (CID 63768787) is 8-(6-chloro-5-propan-2-ylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-(6-chloro-5-propan-2-ylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-(6-chloro-5-propan-2-ylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol is CC(C)c1c(Cl)ncnc1N1C2CCC1CC(O)C2.
What is the InChIKey of 8-(6-chloro-5-propan-2-ylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is JBTQMKFONHXFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-8(2)12-13(15)16-7-17-14(12)18-9-3-4-10(18)6-11(19)5-9/h7-11,19H,3-6H2,1-2H3.
What are the key properties of 8-(6-chloro-5-propan-2-ylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol?
8-(6-chloro-5-propan-2-ylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 281.79 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-chloro-5-propan-2-ylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 63768787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).