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

C12H18N4O — CID 80846082

IUPAC8-[2-(methylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCNc1nccc(N2C3CCC2CC(O)C3)n1
InChIInChI=1S/C12H18N4O/c1-13-12-14-5-4-11(15-12)16-8-2-3-9(16)7-10(17)6-8/h4-5,8-10,17H,2-3,6-7H2,1H3,(H,13,14,15)
InChIKeyNTZWXGWNDAXUBL-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.01
Rot. Bonds2

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

8-[2-(methylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 80846082) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 8-[2-(methylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[2-(methylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID80846082
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name8-[2-(methylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCNc1nccc(N2C3CCC2CC(O)C3)n1
InChIInChI=1S/C12H18N4O/c1-13-12-14-5-4-11(15-12)16-8-2-3-9(16)7-10(17)6-8/h4-5,8-10,17H,2-3,6-7H2,1H3,(H,13,14,15)
InChIKeyNTZWXGWNDAXUBL-UHFFFAOYSA-N
XLogP1.01
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(methylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[2-(methylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol (CID 80846082) is 8-[2-(methylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[2-(methylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[2-(methylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol is CNc1nccc(N2C3CCC2CC(O)C3)n1.
What is the InChIKey of 8-[2-(methylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is NTZWXGWNDAXUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-13-12-14-5-4-11(15-12)16-8-2-3-9(16)7-10(17)6-8/h4-5,8-10,17H,2-3,6-7H2,1H3,(H,13,14,15).
What are the key properties of 8-[2-(methylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[2-(methylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 234.30 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(methylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 80846082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).