2-[(2,6-dichlorophenyl)methoxy]-4-piperazin-1-ylpyrimidine

C15H16Cl2N4O — CID 141073554

IUPAC2-[(2,6-dichlorophenyl)methoxy]-4-piperazin-1-ylpyrimidine
SMILESClc1cccc(Cl)c1COc1nccc(N2CCNCC2)n1
InChIInChI=1S/C15H16Cl2N4O/c16-12-2-1-3-13(17)11(12)10-22-15-19-5-4-14(20-15)21-8-6-18-7-9-21/h1-5,18H,6-10H2
InChIKeyRLJALVJDXAOZMD-UHFFFAOYSA-N
MW339.23 g/mol
LogP2.77
Rot. Bonds4

About 2-[(2,6-dichlorophenyl)methoxy]-4-piperazin-1-ylpyrimidine

2-[(2,6-dichlorophenyl)methoxy]-4-piperazin-1-ylpyrimidine (PubChem CID 141073554) has the molecular formula C15H16Cl2N4O and a molecular weight of 339.23 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methoxy]-4-piperazin-1-ylpyrimidine.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methoxy]-4-piperazin-1-ylpyrimidine
PubChem CID141073554
Molecular FormulaC15H16Cl2N4O
Molecular Weight339.23 g/mol
Exact Mass338.07
IUPAC Name2-[(2,6-dichlorophenyl)methoxy]-4-piperazin-1-ylpyrimidine
SMILESClc1cccc(Cl)c1COc1nccc(N2CCNCC2)n1
InChIInChI=1S/C15H16Cl2N4O/c16-12-2-1-3-13(17)11(12)10-22-15-19-5-4-14(20-15)21-8-6-18-7-9-21/h1-5,18H,6-10H2
InChIKeyRLJALVJDXAOZMD-UHFFFAOYSA-N
XLogP2.77
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methoxy]-4-piperazin-1-ylpyrimidine?
The IUPAC name of 2-[(2,6-dichlorophenyl)methoxy]-4-piperazin-1-ylpyrimidine (CID 141073554) is 2-[(2,6-dichlorophenyl)methoxy]-4-piperazin-1-ylpyrimidine.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methoxy]-4-piperazin-1-ylpyrimidine?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methoxy]-4-piperazin-1-ylpyrimidine is Clc1cccc(Cl)c1COc1nccc(N2CCNCC2)n1.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methoxy]-4-piperazin-1-ylpyrimidine?
The InChIKey is RLJALVJDXAOZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N4O/c16-12-2-1-3-13(17)11(12)10-22-15-19-5-4-14(20-15)21-8-6-18-7-9-21/h1-5,18H,6-10H2.
What are the key properties of 2-[(2,6-dichlorophenyl)methoxy]-4-piperazin-1-ylpyrimidine?
2-[(2,6-dichlorophenyl)methoxy]-4-piperazin-1-ylpyrimidine has a molecular weight of 339.23 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methoxy]-4-piperazin-1-ylpyrimidine is sourced from PubChem (CID 141073554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).