(1S)-2-azido-1-pyrimidin-4-ylethanol

C6H7N5O — CID 131164737

IUPAC(1S)-2-azido-1-pyrimidin-4-ylethanol
SMILES[N-]=[N+]=NC[C@H](O)c1ccncn1
InChIInChI=1S/C6H7N5O/c7-11-10-3-6(12)5-1-2-8-4-9-5/h1-2,4,6,12H,3H2/t6-/m0/s1
InChIKeyUORLYMPGOWIQMN-LURJTMIESA-N
MW165.16 g/mol
LogP0.82
Rot. Bonds3

About (1S)-2-azido-1-pyrimidin-4-ylethanol

(1S)-2-azido-1-pyrimidin-4-ylethanol (PubChem CID 131164737) has the molecular formula C6H7N5O and a molecular weight of 165.16 g/mol. Its IUPAC name is (1S)-2-azido-1-pyrimidin-4-ylethanol.

Molecular Properties

Compound Name(1S)-2-azido-1-pyrimidin-4-ylethanol
PubChem CID131164737
Molecular FormulaC6H7N5O
Molecular Weight165.16 g/mol
Exact Mass165.07
IUPAC Name(1S)-2-azido-1-pyrimidin-4-ylethanol
SMILES[N-]=[N+]=NC[C@H](O)c1ccncn1
InChIInChI=1S/C6H7N5O/c7-11-10-3-6(12)5-1-2-8-4-9-5/h1-2,4,6,12H,3H2/t6-/m0/s1
InChIKeyUORLYMPGOWIQMN-LURJTMIESA-N
XLogP0.82
TPSA94.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(1S)-2-azido-1-pyrazin-2-ylethanol
CID 83092675
3-amino-1-pyrimidin-4-ylpropan-1-ol
CID 79125725
3-hydroxy-3-pyrimidin-4-ylpropanenitrile
CID 79118235
4-(azidomethyl)pyrimidine
CID 118448978
2-azido-1-(1-methyltriazol-4-yl)ethanol
CID 165492311
4-phenyl-1-pyrimidin-4-ylbutan-1-ol
CID 63988109
4-(2-azido-1-hydroxyethyl)phenol
CID 102442707
2-(2-fluorophenyl)-1-pyrimidin-4-ylethanol
CID 63987868
4-ethylsulfonyl-1-pyrimidin-4-ylbutan-1-ol
CID 65095491
3-azido-1-(3-bromo-4-pyridinyl)propane-1,2-diol
CID 170827435
3-amino-2-methyl-1-pyrimidin-4-ylpropan-1-ol
CID 79124586
2-azido-1-(2-chlorophenyl)ethanol
CID 86674103

Frequently Asked Questions

What is the IUPAC name of (1S)-2-azido-1-pyrimidin-4-ylethanol?
The IUPAC name of (1S)-2-azido-1-pyrimidin-4-ylethanol (CID 131164737) is (1S)-2-azido-1-pyrimidin-4-ylethanol.
What is the SMILES notation for (1S)-2-azido-1-pyrimidin-4-ylethanol?
The canonical SMILES for (1S)-2-azido-1-pyrimidin-4-ylethanol is [N-]=[N+]=NC[C@H](O)c1ccncn1.
What is the InChIKey of (1S)-2-azido-1-pyrimidin-4-ylethanol?
The InChIKey is UORLYMPGOWIQMN-LURJTMIESA-N. The full InChI is InChI=1S/C6H7N5O/c7-11-10-3-6(12)5-1-2-8-4-9-5/h1-2,4,6,12H,3H2/t6-/m0/s1.
What are the key properties of (1S)-2-azido-1-pyrimidin-4-ylethanol?
(1S)-2-azido-1-pyrimidin-4-ylethanol has a molecular weight of 165.16 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-azido-1-pyrimidin-4-ylethanol is sourced from PubChem (CID 131164737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).