(1R,5S)-8-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol

C15H23N3O — CID 50961645

IUPAC(1R,5S)-8-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCc1nc(C(C)C)cc(N2[C@@H]3CC[C@H]2CC(O)C3)n1
InChIInChI=1S/C15H23N3O/c1-9(2)14-8-15(17-10(3)16-14)18-11-4-5-12(18)7-13(19)6-11/h8-9,11-13,19H,4-7H2,1-3H3/t11-,12+,13?
InChIKeyJCNXSRGABYMYFL-FUNVUKJBSA-N
MW261.37 g/mol
LogP2.40
Rot. Bonds2

About (1R,5S)-8-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol

(1R,5S)-8-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 50961645) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is (1R,5S)-8-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name(1R,5S)-8-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID50961645
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name(1R,5S)-8-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCc1nc(C(C)C)cc(N2[C@@H]3CC[C@H]2CC(O)C3)n1
InChIInChI=1S/C15H23N3O/c1-9(2)14-8-15(17-10(3)16-14)18-11-4-5-12(18)7-13(19)6-11/h8-9,11-13,19H,4-7H2,1-3H3/t11-,12+,13?
InChIKeyJCNXSRGABYMYFL-FUNVUKJBSA-N
XLogP2.40
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-8-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of (1R,5S)-8-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol (CID 50961645) is (1R,5S)-8-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for (1R,5S)-8-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for (1R,5S)-8-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol is Cc1nc(C(C)C)cc(N2[C@@H]3CC[C@H]2CC(O)C3)n1.
What is the InChIKey of (1R,5S)-8-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is JCNXSRGABYMYFL-FUNVUKJBSA-N. The full InChI is InChI=1S/C15H23N3O/c1-9(2)14-8-15(17-10(3)16-14)18-11-4-5-12(18)7-13(19)6-11/h8-9,11-13,19H,4-7H2,1-3H3/t11-,12+,13?.
What are the key properties of (1R,5S)-8-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol?
(1R,5S)-8-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 261.37 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-8-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 50961645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).