4-[(2,3-difluorophenyl)methoxy]-2-piperazin-1-ylpyrimidine

C15H16F2N4O — CID 141073558

IUPAC4-[(2,3-difluorophenyl)methoxy]-2-piperazin-1-ylpyrimidine
SMILESFc1cccc(COc2ccnc(N3CCNCC3)n2)c1F
InChIInChI=1S/C15H16F2N4O/c16-12-3-1-2-11(14(12)17)10-22-13-4-5-19-15(20-13)21-8-6-18-7-9-21/h1-5,18H,6-10H2
InChIKeyJSCNWYDIDXNLTL-UHFFFAOYSA-N
MW306.32 g/mol
LogP1.74
Rot. Bonds4

About 4-[(2,3-difluorophenyl)methoxy]-2-piperazin-1-ylpyrimidine

4-[(2,3-difluorophenyl)methoxy]-2-piperazin-1-ylpyrimidine (PubChem CID 141073558) has the molecular formula C15H16F2N4O and a molecular weight of 306.32 g/mol. Its IUPAC name is 4-[(2,3-difluorophenyl)methoxy]-2-piperazin-1-ylpyrimidine.

Molecular Properties

Compound Name4-[(2,3-difluorophenyl)methoxy]-2-piperazin-1-ylpyrimidine
PubChem CID141073558
Molecular FormulaC15H16F2N4O
Molecular Weight306.32 g/mol
Exact Mass306.13
IUPAC Name4-[(2,3-difluorophenyl)methoxy]-2-piperazin-1-ylpyrimidine
SMILESFc1cccc(COc2ccnc(N3CCNCC3)n2)c1F
InChIInChI=1S/C15H16F2N4O/c16-12-3-1-2-11(14(12)17)10-22-13-4-5-19-15(20-13)21-8-6-18-7-9-21/h1-5,18H,6-10H2
InChIKeyJSCNWYDIDXNLTL-UHFFFAOYSA-N
XLogP1.74
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-difluorophenyl)methoxy]-2-piperazin-1-ylpyrimidine?
The IUPAC name of 4-[(2,3-difluorophenyl)methoxy]-2-piperazin-1-ylpyrimidine (CID 141073558) is 4-[(2,3-difluorophenyl)methoxy]-2-piperazin-1-ylpyrimidine.
What is the SMILES notation for 4-[(2,3-difluorophenyl)methoxy]-2-piperazin-1-ylpyrimidine?
The canonical SMILES for 4-[(2,3-difluorophenyl)methoxy]-2-piperazin-1-ylpyrimidine is Fc1cccc(COc2ccnc(N3CCNCC3)n2)c1F.
What is the InChIKey of 4-[(2,3-difluorophenyl)methoxy]-2-piperazin-1-ylpyrimidine?
The InChIKey is JSCNWYDIDXNLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N4O/c16-12-3-1-2-11(14(12)17)10-22-13-4-5-19-15(20-13)21-8-6-18-7-9-21/h1-5,18H,6-10H2.
What are the key properties of 4-[(2,3-difluorophenyl)methoxy]-2-piperazin-1-ylpyrimidine?
4-[(2,3-difluorophenyl)methoxy]-2-piperazin-1-ylpyrimidine has a molecular weight of 306.32 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-difluorophenyl)methoxy]-2-piperazin-1-ylpyrimidine is sourced from PubChem (CID 141073558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).