2-chloro-4-phenylmethoxypyrimidine

C11H9ClN2O — CID 15133237

IUPAC2-chloro-4-phenylmethoxypyrimidine
SMILESClc1nccc(OCc2ccccc2)n1
InChIInChI=1S/C11H9ClN2O/c12-11-13-7-6-10(14-11)15-8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeySNCGVIVLUWJDQN-UHFFFAOYSA-N
MW220.66 g/mol
LogP2.71
Rot. Bonds3

About 2-chloro-4-phenylmethoxypyrimidine

2-chloro-4-phenylmethoxypyrimidine (PubChem CID 15133237) has the molecular formula C11H9ClN2O and a molecular weight of 220.66 g/mol. Its IUPAC name is 2-chloro-4-phenylmethoxypyrimidine.

Molecular Properties

Compound Name2-chloro-4-phenylmethoxypyrimidine
PubChem CID15133237
Molecular FormulaC11H9ClN2O
Molecular Weight220.66 g/mol
Exact Mass220.04
IUPAC Name2-chloro-4-phenylmethoxypyrimidine
SMILESClc1nccc(OCc2ccccc2)n1
InChIInChI=1S/C11H9ClN2O/c12-11-13-7-6-10(14-11)15-8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeySNCGVIVLUWJDQN-UHFFFAOYSA-N
XLogP2.71
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-phenylmethoxypyrimidine?
The IUPAC name of 2-chloro-4-phenylmethoxypyrimidine (CID 15133237) is 2-chloro-4-phenylmethoxypyrimidine.
What is the SMILES notation for 2-chloro-4-phenylmethoxypyrimidine?
The canonical SMILES for 2-chloro-4-phenylmethoxypyrimidine is Clc1nccc(OCc2ccccc2)n1.
What is the InChIKey of 2-chloro-4-phenylmethoxypyrimidine?
The InChIKey is SNCGVIVLUWJDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O/c12-11-13-7-6-10(14-11)15-8-9-4-2-1-3-5-9/h1-7H,8H2.
What are the key properties of 2-chloro-4-phenylmethoxypyrimidine?
2-chloro-4-phenylmethoxypyrimidine has a molecular weight of 220.66 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-phenylmethoxypyrimidine is sourced from PubChem (CID 15133237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).