2-(4-aminopyrimidin-2-yl)-2-azabicyclo[2.2.1]heptan-5-ol

C10H14N4O — CID 156538435

IUPAC2-(4-aminopyrimidin-2-yl)-2-azabicyclo[2.2.1]heptan-5-ol
SMILESNc1ccnc(N2CC3CC2CC3O)n1
InChIInChI=1S/C10H14N4O/c11-9-1-2-12-10(13-9)14-5-6-3-7(14)4-8(6)15/h1-2,6-8,15H,3-5H2,(H2,11,12,13)
InChIKeyNOHAVILHUJBHHB-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.02
Rot. Bonds1

About 2-(4-aminopyrimidin-2-yl)-2-azabicyclo[2.2.1]heptan-5-ol

2-(4-aminopyrimidin-2-yl)-2-azabicyclo[2.2.1]heptan-5-ol (PubChem CID 156538435) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-(4-aminopyrimidin-2-yl)-2-azabicyclo[2.2.1]heptan-5-ol.

Molecular Properties

Compound Name2-(4-aminopyrimidin-2-yl)-2-azabicyclo[2.2.1]heptan-5-ol
PubChem CID156538435
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name2-(4-aminopyrimidin-2-yl)-2-azabicyclo[2.2.1]heptan-5-ol
SMILESNc1ccnc(N2CC3CC2CC3O)n1
InChIInChI=1S/C10H14N4O/c11-9-1-2-12-10(13-9)14-5-6-3-7(14)4-8(6)15/h1-2,6-8,15H,3-5H2,(H2,11,12,13)
InChIKeyNOHAVILHUJBHHB-UHFFFAOYSA-N
XLogP0.02
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopyrimidin-2-yl)-2-azabicyclo[2.2.1]heptan-5-ol?
The IUPAC name of 2-(4-aminopyrimidin-2-yl)-2-azabicyclo[2.2.1]heptan-5-ol (CID 156538435) is 2-(4-aminopyrimidin-2-yl)-2-azabicyclo[2.2.1]heptan-5-ol.
What is the SMILES notation for 2-(4-aminopyrimidin-2-yl)-2-azabicyclo[2.2.1]heptan-5-ol?
The canonical SMILES for 2-(4-aminopyrimidin-2-yl)-2-azabicyclo[2.2.1]heptan-5-ol is Nc1ccnc(N2CC3CC2CC3O)n1.
What is the InChIKey of 2-(4-aminopyrimidin-2-yl)-2-azabicyclo[2.2.1]heptan-5-ol?
The InChIKey is NOHAVILHUJBHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c11-9-1-2-12-10(13-9)14-5-6-3-7(14)4-8(6)15/h1-2,6-8,15H,3-5H2,(H2,11,12,13).
What are the key properties of 2-(4-aminopyrimidin-2-yl)-2-azabicyclo[2.2.1]heptan-5-ol?
2-(4-aminopyrimidin-2-yl)-2-azabicyclo[2.2.1]heptan-5-ol has a molecular weight of 206.25 g/mol, XLogP of 0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopyrimidin-2-yl)-2-azabicyclo[2.2.1]heptan-5-ol is sourced from PubChem (CID 156538435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).