2-azido-5-phenylmethoxypyrimidine

C11H9N5O — CID 90459772

IUPAC2-azido-5-phenylmethoxypyrimidine
SMILES[N-]=[N+]=Nc1ncc(OCc2ccccc2)cn1
InChIInChI=1S/C11H9N5O/c12-16-15-11-13-6-10(7-14-11)17-8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyPDKJCICLCWEMTA-UHFFFAOYSA-N
MW227.23 g/mol
LogP3.00
Rot. Bonds4

About 2-azido-5-phenylmethoxypyrimidine

2-azido-5-phenylmethoxypyrimidine (PubChem CID 90459772) has the molecular formula C11H9N5O and a molecular weight of 227.23 g/mol. Its IUPAC name is 2-azido-5-phenylmethoxypyrimidine.

Molecular Properties

Compound Name2-azido-5-phenylmethoxypyrimidine
PubChem CID90459772
Molecular FormulaC11H9N5O
Molecular Weight227.23 g/mol
Exact Mass227.08
IUPAC Name2-azido-5-phenylmethoxypyrimidine
SMILES[N-]=[N+]=Nc1ncc(OCc2ccccc2)cn1
InChIInChI=1S/C11H9N5O/c12-16-15-11-13-6-10(7-14-11)17-8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyPDKJCICLCWEMTA-UHFFFAOYSA-N
XLogP3.00
TPSA83.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 53.00
H-Bond Donors ≤ 50
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

2-iodo-5-phenylmethoxypyrimidine
CID 153056979
5-phenylmethoxypyrimidin-2-amine
CID 20748397
2-methyl-5-phenylmethoxypyrimidine
CID 59993103
2-phenyl-5-phenylmethoxypyrimidine
CID 151774114
2-azido-5-phenylmethoxybenzaldehyde
CID 150841101
1-azido-2-methyl-4-phenylmethoxybenzene
CID 151318667
1-azido-3-(4-phenylmethoxyphenyl)benzene
CID 169326217
5-phenylmethoxypyridine-2-carbonitrile
CID 15574701
N-ethyl-5-phenylmethoxypyrimidin-2-amine
CID 130337236
5-phenylmethoxy-N-propan-2-ylpyrimidin-2-amine
CID 154136331
1-phenylmethoxy-4-[9-(4-phenylmethoxyphenoxy)nonoxy]benzene
CID 43835980
2-azidoethoxymethylbenzene
CID 11116596

Frequently Asked Questions

What is the IUPAC name of 2-azido-5-phenylmethoxypyrimidine?
The IUPAC name of 2-azido-5-phenylmethoxypyrimidine (CID 90459772) is 2-azido-5-phenylmethoxypyrimidine.
What is the SMILES notation for 2-azido-5-phenylmethoxypyrimidine?
The canonical SMILES for 2-azido-5-phenylmethoxypyrimidine is [N-]=[N+]=Nc1ncc(OCc2ccccc2)cn1.
What is the InChIKey of 2-azido-5-phenylmethoxypyrimidine?
The InChIKey is PDKJCICLCWEMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O/c12-16-15-11-13-6-10(7-14-11)17-8-9-4-2-1-3-5-9/h1-7H,8H2.
What are the key properties of 2-azido-5-phenylmethoxypyrimidine?
2-azido-5-phenylmethoxypyrimidine has a molecular weight of 227.23 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-5-phenylmethoxypyrimidine is sourced from PubChem (CID 90459772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).