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

C15H20ClN3O — CID 80972608

IUPAC8-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCc1c(Cl)nc(C2CC2)nc1N1C2CCC1CC(O)C2
InChIInChI=1S/C15H20ClN3O/c1-8-13(16)17-14(9-2-3-9)18-15(8)19-10-4-5-11(19)7-12(20)6-10/h9-12,20H,2-7H2,1H3
InChIKeyUUPTZOYGFKUFIB-UHFFFAOYSA-N
MW293.80 g/mol
LogP2.81
Rot. Bonds2

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

8-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 80972608) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 8-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID80972608
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name8-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCc1c(Cl)nc(C2CC2)nc1N1C2CCC1CC(O)C2
InChIInChI=1S/C15H20ClN3O/c1-8-13(16)17-14(9-2-3-9)18-15(8)19-10-4-5-11(19)7-12(20)6-10/h9-12,20H,2-7H2,1H3
InChIKeyUUPTZOYGFKUFIB-UHFFFAOYSA-N
XLogP2.81
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 52.81
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-cyclopropyl-5-methylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol (CID 80972608) is 8-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol is Cc1c(Cl)nc(C2CC2)nc1N1C2CCC1CC(O)C2.
What is the InChIKey of 8-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is UUPTZOYGFKUFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-8-13(16)17-14(9-2-3-9)18-15(8)19-10-4-5-11(19)7-12(20)6-10/h9-12,20H,2-7H2,1H3.
What are the key properties of 8-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol?
8-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 293.80 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 80972608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).