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

C12H16ClN3O — CID 63769829

IUPAC8-(6-chloro-2-methylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCc1nc(Cl)cc(N2C3CCC2CC(O)C3)n1
InChIInChI=1S/C12H16ClN3O/c1-7-14-11(13)6-12(15-7)16-8-2-3-9(16)5-10(17)4-8/h6,8-10,17H,2-5H2,1H3
InChIKeyJQYZKGFFTHYKCK-UHFFFAOYSA-N
MW253.73 g/mol
LogP1.93
Rot. Bonds1

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

8-(6-chloro-2-methylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 63769829) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is 8-(6-chloro-2-methylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-(6-chloro-2-methylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID63769829
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name8-(6-chloro-2-methylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCc1nc(Cl)cc(N2C3CCC2CC(O)C3)n1
InChIInChI=1S/C12H16ClN3O/c1-7-14-11(13)6-12(15-7)16-8-2-3-9(16)5-10(17)4-8/h6,8-10,17H,2-5H2,1H3
InChIKeyJQYZKGFFTHYKCK-UHFFFAOYSA-N
XLogP1.93
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,5R)-1-[6-chloro-2-[(2,2-difluorocyclopropyl)methyl]pyrimidin-4-yl]-5-ethylpyrrolidin-3-ol
CID 117688674
(3S,5R)-1-[6-chloro-2-(2,2-difluoro-3-methylcyclopropyl)pyrimidin-4-yl]-5-ethylpyrrolidin-3-ol
CID 117688706
(1R)-1-[(3R)-1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]ethanol
CID 129320636
4-chloro-6-[(2S)-2-(methoxymethyl)piperidin-1-yl]-2-methylpyrimidine
CID 129322392
2-[1-[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-2-yl]ethanol
CID 106767018
3-[1-[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol
CID 106767689
8-[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol
CID 106767828
2-[[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol
CID 106768486
8-[6-(Methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol
CID 106772045
8-[6-Amino-2-(trifluoromethyl)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol
CID 106772046
[1-[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-2-yl]methanol
CID 113875230
8-(6-Fluoropyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 115417009

Frequently Asked Questions

What is the IUPAC name of 8-(6-chloro-2-methylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-(6-chloro-2-methylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol (CID 63769829) is 8-(6-chloro-2-methylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-(6-chloro-2-methylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-(6-chloro-2-methylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol is Cc1nc(Cl)cc(N2C3CCC2CC(O)C3)n1.
What is the InChIKey of 8-(6-chloro-2-methylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is JQYZKGFFTHYKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c1-7-14-11(13)6-12(15-7)16-8-2-3-9(16)5-10(17)4-8/h6,8-10,17H,2-5H2,1H3.
What are the key properties of 8-(6-chloro-2-methylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol?
8-(6-chloro-2-methylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 253.73 g/mol, XLogP of 1.93, 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-methylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 63769829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).