1-methyl-3-pyrimidin-5-ylazetidin-3-ol

C8H11N3O — CID 83815858

IUPAC1-methyl-3-pyrimidin-5-ylazetidin-3-ol
SMILESCN1CC(O)(c2cncnc2)C1
InChIInChI=1S/C8H11N3O/c1-11-4-8(12,5-11)7-2-9-6-10-3-7/h2-3,6,12H,4-5H2,1H3
InChIKeyGVMSEFPTEDLFCX-UHFFFAOYSA-N
MW165.20 g/mol
LogP-0.39
Rot. Bonds1

About 1-methyl-3-pyrimidin-5-ylazetidin-3-ol

1-methyl-3-pyrimidin-5-ylazetidin-3-ol (PubChem CID 83815858) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 1-methyl-3-pyrimidin-5-ylazetidin-3-ol.

Molecular Properties

Compound Name1-methyl-3-pyrimidin-5-ylazetidin-3-ol
PubChem CID83815858
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name1-methyl-3-pyrimidin-5-ylazetidin-3-ol
SMILESCN1CC(O)(c2cncnc2)C1
InChIInChI=1S/C8H11N3O/c1-11-4-8(12,5-11)7-2-9-6-10-3-7/h2-3,6,12H,4-5H2,1H3
InChIKeyGVMSEFPTEDLFCX-UHFFFAOYSA-N
XLogP-0.39
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-pyrimidin-5-ylazetidin-3-ol?
The IUPAC name of 1-methyl-3-pyrimidin-5-ylazetidin-3-ol (CID 83815858) is 1-methyl-3-pyrimidin-5-ylazetidin-3-ol.
What is the SMILES notation for 1-methyl-3-pyrimidin-5-ylazetidin-3-ol?
The canonical SMILES for 1-methyl-3-pyrimidin-5-ylazetidin-3-ol is CN1CC(O)(c2cncnc2)C1.
What is the InChIKey of 1-methyl-3-pyrimidin-5-ylazetidin-3-ol?
The InChIKey is GVMSEFPTEDLFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-11-4-8(12,5-11)7-2-9-6-10-3-7/h2-3,6,12H,4-5H2,1H3.
What are the key properties of 1-methyl-3-pyrimidin-5-ylazetidin-3-ol?
1-methyl-3-pyrimidin-5-ylazetidin-3-ol has a molecular weight of 165.20 g/mol, XLogP of -0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-pyrimidin-5-ylazetidin-3-ol is sourced from PubChem (CID 83815858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).