8-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol

C18H26N4O2 — CID 167768156

IUPAC8-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(C1)N2c1ccnc(N2C3CCC2CC(O)C3)n1
InChIInChI=1S/C18H26N4O2/c23-15-7-11-1-2-12(8-15)21(11)17-5-6-19-18(20-17)22-13-3-4-14(22)10-16(24)9-13/h5-6,11-16,23-24H,1-4,7-10H2
InChIKeyJKPBKQRAMQFOBJ-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.46
Rot. Bonds2

About 8-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol

8-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 167768156) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 8-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID167768156
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name8-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(C1)N2c1ccnc(N2C3CCC2CC(O)C3)n1
InChIInChI=1S/C18H26N4O2/c23-15-7-11-1-2-12(8-15)21(11)17-5-6-19-18(20-17)22-13-3-4-14(22)10-16(24)9-13/h5-6,11-16,23-24H,1-4,7-10H2
InChIKeyJKPBKQRAMQFOBJ-UHFFFAOYSA-N
XLogP1.46
TPSA72.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 8-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol with MolForge

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Related Compounds

8-[2-(dimethylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol
CID 64829709
8-[2-(methylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol
CID 80846082
5-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyrazine-2-carboxylic acid
CID 107372450
8-(5-chloropyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 79555528
8-[6-(methylamino)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 80845741
6-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]pyridine-2-carbonitrile
CID 129379431
8-(5-fluoro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 63762633
8-(5-amino-6-methoxy-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 63762743
2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyridine-3-carboxylic acid
CID 55237033
6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyridine-3-carbonitrile
CID 63770111
2-[8-(2-methylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79609128
8-(6-amino-5-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 79816393

Frequently Asked Questions

What is the IUPAC name of 8-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol (CID 167768156) is 8-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol is OC1CC2CCC(C1)N2c1ccnc(N2C3CCC2CC(O)C3)n1.
What is the InChIKey of 8-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is JKPBKQRAMQFOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c23-15-7-11-1-2-12(8-15)21(11)17-5-6-19-18(20-17)22-13-3-4-14(22)10-16(24)9-13/h5-6,11-16,23-24H,1-4,7-10H2.
What are the key properties of 8-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 330.43 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 167768156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).