4-(2-fluorophenoxy)-6-(4-methylpiperazin-1-yl)pyrimidine

C15H17FN4O — CID 24715570

IUPAC4-(2-fluorophenoxy)-6-(4-methylpiperazin-1-yl)pyrimidine
SMILESCN1CCN(c2cc(Oc3ccccc3F)ncn2)CC1
InChIInChI=1S/C15H17FN4O/c1-19-6-8-20(9-7-19)14-10-15(18-11-17-14)21-13-5-3-2-4-12(13)16/h2-5,10-11H,6-9H2,1H3
InChIKeyQRBUHECMTOGPKW-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.16
Rot. Bonds3

About 4-(2-fluorophenoxy)-6-(4-methylpiperazin-1-yl)pyrimidine

4-(2-fluorophenoxy)-6-(4-methylpiperazin-1-yl)pyrimidine (PubChem CID 24715570) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is 4-(2-fluorophenoxy)-6-(4-methylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-(2-fluorophenoxy)-6-(4-methylpiperazin-1-yl)pyrimidine
PubChem CID24715570
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC Name4-(2-fluorophenoxy)-6-(4-methylpiperazin-1-yl)pyrimidine
SMILESCN1CCN(c2cc(Oc3ccccc3F)ncn2)CC1
InChIInChI=1S/C15H17FN4O/c1-19-6-8-20(9-7-19)14-10-15(18-11-17-14)21-13-5-3-2-4-12(13)16/h2-5,10-11H,6-9H2,1H3
InChIKeyQRBUHECMTOGPKW-UHFFFAOYSA-N
XLogP2.16
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenoxy)-6-(4-methylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4-(2-fluorophenoxy)-6-(4-methylpiperazin-1-yl)pyrimidine (CID 24715570) is 4-(2-fluorophenoxy)-6-(4-methylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4-(2-fluorophenoxy)-6-(4-methylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4-(2-fluorophenoxy)-6-(4-methylpiperazin-1-yl)pyrimidine is CN1CCN(c2cc(Oc3ccccc3F)ncn2)CC1.
What is the InChIKey of 4-(2-fluorophenoxy)-6-(4-methylpiperazin-1-yl)pyrimidine?
The InChIKey is QRBUHECMTOGPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c1-19-6-8-20(9-7-19)14-10-15(18-11-17-14)21-13-5-3-2-4-12(13)16/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 4-(2-fluorophenoxy)-6-(4-methylpiperazin-1-yl)pyrimidine?
4-(2-fluorophenoxy)-6-(4-methylpiperazin-1-yl)pyrimidine has a molecular weight of 288.33 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenoxy)-6-(4-methylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 24715570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).