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

C18H21FN4O — CID 16667990

IUPAC8-(2-amino-6-methylpyrimidin-4-yl)-3-(3-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCc1cc(N2C3CCC2CC(O)(c2cccc(F)c2)C3)nc(N)n1
InChIInChI=1S/C18H21FN4O/c1-11-7-16(22-17(20)21-11)23-14-5-6-15(23)10-18(24,9-14)12-3-2-4-13(19)8-12/h2-4,7-8,14-15,24H,5-6,9-10H2,1H3,(H2,20,21,22)
InChIKeyVXUHUYKYRRMZBM-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.53
Rot. Bonds2

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

8-(2-amino-6-methylpyrimidin-4-yl)-3-(3-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 16667990) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is 8-(2-amino-6-methylpyrimidin-4-yl)-3-(3-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-(2-amino-6-methylpyrimidin-4-yl)-3-(3-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID16667990
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC Name8-(2-amino-6-methylpyrimidin-4-yl)-3-(3-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCc1cc(N2C3CCC2CC(O)(c2cccc(F)c2)C3)nc(N)n1
InChIInChI=1S/C18H21FN4O/c1-11-7-16(22-17(20)21-11)23-14-5-6-15(23)10-18(24,9-14)12-3-2-4-13(19)8-12/h2-4,7-8,14-15,24H,5-6,9-10H2,1H3,(H2,20,21,22)
InChIKeyVXUHUYKYRRMZBM-UHFFFAOYSA-N
XLogP2.53
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(2-amino-6-methylpyrimidin-4-yl)-3-(3-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-(2-amino-6-methylpyrimidin-4-yl)-3-(3-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 16667990) is 8-(2-amino-6-methylpyrimidin-4-yl)-3-(3-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-(2-amino-6-methylpyrimidin-4-yl)-3-(3-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-(2-amino-6-methylpyrimidin-4-yl)-3-(3-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol is Cc1cc(N2C3CCC2CC(O)(c2cccc(F)c2)C3)nc(N)n1.
What is the InChIKey of 8-(2-amino-6-methylpyrimidin-4-yl)-3-(3-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is VXUHUYKYRRMZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c1-11-7-16(22-17(20)21-11)23-14-5-6-15(23)10-18(24,9-14)12-3-2-4-13(19)8-12/h2-4,7-8,14-15,24H,5-6,9-10H2,1H3,(H2,20,21,22).
What are the key properties of 8-(2-amino-6-methylpyrimidin-4-yl)-3-(3-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol?
8-(2-amino-6-methylpyrimidin-4-yl)-3-(3-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 328.39 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-amino-6-methylpyrimidin-4-yl)-3-(3-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 16667990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).