1-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]azetidin-3-ol

C11H16N4O2 — CID 91779555

IUPAC1-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]azetidin-3-ol
SMILESNc1nc(C2CC(O)C2)cc(N2CC(O)C2)n1
InChIInChI=1S/C11H16N4O2/c12-11-13-9(6-1-7(16)2-6)3-10(14-11)15-4-8(17)5-15/h3,6-8,16-17H,1-2,4-5H2,(H2,12,13,14)
InChIKeyKOKHOGOBVSEISM-UHFFFAOYSA-N
MW236.27 g/mol
LogP-0.52
Rot. Bonds2

About 1-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]azetidin-3-ol

1-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]azetidin-3-ol (PubChem CID 91779555) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]azetidin-3-ol.

Molecular Properties

Compound Name1-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]azetidin-3-ol
PubChem CID91779555
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name1-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]azetidin-3-ol
SMILESNc1nc(C2CC(O)C2)cc(N2CC(O)C2)n1
InChIInChI=1S/C11H16N4O2/c12-11-13-9(6-1-7(16)2-6)3-10(14-11)15-4-8(17)5-15/h3,6-8,16-17H,1-2,4-5H2,(H2,12,13,14)
InChIKeyKOKHOGOBVSEISM-UHFFFAOYSA-N
XLogP-0.52
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]azetidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]azetidin-3-ol?
The IUPAC name of 1-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]azetidin-3-ol (CID 91779555) is 1-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]azetidin-3-ol.
What is the SMILES notation for 1-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]azetidin-3-ol?
The canonical SMILES for 1-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]azetidin-3-ol is Nc1nc(C2CC(O)C2)cc(N2CC(O)C2)n1.
What is the InChIKey of 1-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]azetidin-3-ol?
The InChIKey is KOKHOGOBVSEISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c12-11-13-9(6-1-7(16)2-6)3-10(14-11)15-4-8(17)5-15/h3,6-8,16-17H,1-2,4-5H2,(H2,12,13,14).
What are the key properties of 1-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]azetidin-3-ol?
1-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]azetidin-3-ol has a molecular weight of 236.27 g/mol, XLogP of -0.52, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]azetidin-3-ol is sourced from PubChem (CID 91779555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).