2-iodo-5-phenylmethoxypyrimidine

C11H9IN2O — CID 153056979

IUPAC2-iodo-5-phenylmethoxypyrimidine
SMILESIc1ncc(OCc2ccccc2)cn1
InChIInChI=1S/C11H9IN2O/c12-11-13-6-10(7-14-11)15-8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyVIRLOOGJDFQBNV-UHFFFAOYSA-N
MW312.11 g/mol
LogP2.66
Rot. Bonds3

About 2-iodo-5-phenylmethoxypyrimidine

2-iodo-5-phenylmethoxypyrimidine (PubChem CID 153056979) has the molecular formula C11H9IN2O and a molecular weight of 312.11 g/mol. Its IUPAC name is 2-iodo-5-phenylmethoxypyrimidine.

Molecular Properties

Compound Name2-iodo-5-phenylmethoxypyrimidine
PubChem CID153056979
Molecular FormulaC11H9IN2O
Molecular Weight312.11 g/mol
Exact Mass311.98
IUPAC Name2-iodo-5-phenylmethoxypyrimidine
SMILESIc1ncc(OCc2ccccc2)cn1
InChIInChI=1S/C11H9IN2O/c12-11-13-6-10(7-14-11)15-8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyVIRLOOGJDFQBNV-UHFFFAOYSA-N
XLogP2.66
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.11
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-phenylmethoxypyrimidin-2-amine
CID 20748397
2-methyl-5-phenylmethoxypyrimidine
CID 59993103
2-phenyl-5-phenylmethoxypyrimidine
CID 151774114
N-ethyl-5-phenylmethoxypyrimidin-2-amine
CID 130337236
1-iodo-3,5-bis(phenylmethoxy)benzene
CID 15389195
5-phenylmethoxy-N-propan-2-ylpyrimidin-2-amine
CID 154136331
2-azido-5-phenylmethoxypyrimidine
CID 90459772
5-phenylmethoxypyridine-2-carbonitrile
CID 15574701
N-benzyl-4-iodoaniline;2-bromo-5-phenylmethoxypyrimidine
CID 174962993
phenoxymethylbenzene;sulfuric acid
CID 68982967
2-(azetidin-3-ylmethyl)-5-phenylmethoxypyrimidine
CID 117231356
2-bromo-3-methyl-5-phenylmethoxypyridine
CID 171367579

Frequently Asked Questions

What is the IUPAC name of 2-iodo-5-phenylmethoxypyrimidine?
The IUPAC name of 2-iodo-5-phenylmethoxypyrimidine (CID 153056979) is 2-iodo-5-phenylmethoxypyrimidine.
What is the SMILES notation for 2-iodo-5-phenylmethoxypyrimidine?
The canonical SMILES for 2-iodo-5-phenylmethoxypyrimidine is Ic1ncc(OCc2ccccc2)cn1.
What is the InChIKey of 2-iodo-5-phenylmethoxypyrimidine?
The InChIKey is VIRLOOGJDFQBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9IN2O/c12-11-13-6-10(7-14-11)15-8-9-4-2-1-3-5-9/h1-7H,8H2.
What are the key properties of 2-iodo-5-phenylmethoxypyrimidine?
2-iodo-5-phenylmethoxypyrimidine has a molecular weight of 312.11 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-5-phenylmethoxypyrimidine is sourced from PubChem (CID 153056979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).