5-[4-[2-fluoro-3-(nitrosomethyl)phenyl]piperazin-1-yl]pyrimidine

C15H16FN5O — CID 88931001

IUPAC5-[4-[2-fluoro-3-(nitrosomethyl)phenyl]piperazin-1-yl]pyrimidine
SMILESO=NCc1cccc(N2CCN(c3cncnc3)CC2)c1F
InChIInChI=1S/C15H16FN5O/c16-15-12(8-19-22)2-1-3-14(15)21-6-4-20(5-7-21)13-9-17-11-18-10-13/h1-3,9-11H,4-8H2
InChIKeyLWCJMPOMDRIDAQ-UHFFFAOYSA-N
MW301.33 g/mol
LogP2.21
Rot. Bonds4

About 5-[4-[2-fluoro-3-(nitrosomethyl)phenyl]piperazin-1-yl]pyrimidine

5-[4-[2-fluoro-3-(nitrosomethyl)phenyl]piperazin-1-yl]pyrimidine (PubChem CID 88931001) has the molecular formula C15H16FN5O and a molecular weight of 301.33 g/mol. Its IUPAC name is 5-[4-[2-fluoro-3-(nitrosomethyl)phenyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-[4-[2-fluoro-3-(nitrosomethyl)phenyl]piperazin-1-yl]pyrimidine
PubChem CID88931001
Molecular FormulaC15H16FN5O
Molecular Weight301.33 g/mol
Exact Mass301.13
IUPAC Name5-[4-[2-fluoro-3-(nitrosomethyl)phenyl]piperazin-1-yl]pyrimidine
SMILESO=NCc1cccc(N2CCN(c3cncnc3)CC2)c1F
InChIInChI=1S/C15H16FN5O/c16-15-12(8-19-22)2-1-3-14(15)21-6-4-20(5-7-21)13-9-17-11-18-10-13/h1-3,9-11H,4-8H2
InChIKeyLWCJMPOMDRIDAQ-UHFFFAOYSA-N
XLogP2.21
TPSA61.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-fluoro-3-(nitrosomethyl)phenyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 5-[4-[2-fluoro-3-(nitrosomethyl)phenyl]piperazin-1-yl]pyrimidine (CID 88931001) is 5-[4-[2-fluoro-3-(nitrosomethyl)phenyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 5-[4-[2-fluoro-3-(nitrosomethyl)phenyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 5-[4-[2-fluoro-3-(nitrosomethyl)phenyl]piperazin-1-yl]pyrimidine is O=NCc1cccc(N2CCN(c3cncnc3)CC2)c1F.
What is the InChIKey of 5-[4-[2-fluoro-3-(nitrosomethyl)phenyl]piperazin-1-yl]pyrimidine?
The InChIKey is LWCJMPOMDRIDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5O/c16-15-12(8-19-22)2-1-3-14(15)21-6-4-20(5-7-21)13-9-17-11-18-10-13/h1-3,9-11H,4-8H2.
What are the key properties of 5-[4-[2-fluoro-3-(nitrosomethyl)phenyl]piperazin-1-yl]pyrimidine?
5-[4-[2-fluoro-3-(nitrosomethyl)phenyl]piperazin-1-yl]pyrimidine has a molecular weight of 301.33 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-fluoro-3-(nitrosomethyl)phenyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 88931001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).