4-ethyl-5-fluoro-6-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]pyrimidine

C15H19FN6O — CID 75470617

IUPAC4-ethyl-5-fluoro-6-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]pyrimidine
SMILESCCc1ncnc(N2CCN(c3cncc(OC)n3)CC2)c1F
InChIInChI=1S/C15H19FN6O/c1-3-11-14(16)15(19-10-18-11)22-6-4-21(5-7-22)12-8-17-9-13(20-12)23-2/h8-10H,3-7H2,1-2H3
InChIKeyRJCJZEDZUUSXBP-UHFFFAOYSA-N
MW318.36 g/mol
LogP1.30
Rot. Bonds4

About 4-ethyl-5-fluoro-6-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]pyrimidine

4-ethyl-5-fluoro-6-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]pyrimidine (PubChem CID 75470617) has the molecular formula C15H19FN6O and a molecular weight of 318.36 g/mol. Its IUPAC name is 4-ethyl-5-fluoro-6-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-ethyl-5-fluoro-6-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]pyrimidine
PubChem CID75470617
Molecular FormulaC15H19FN6O
Molecular Weight318.36 g/mol
Exact Mass318.16
IUPAC Name4-ethyl-5-fluoro-6-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]pyrimidine
SMILESCCc1ncnc(N2CCN(c3cncc(OC)n3)CC2)c1F
InChIInChI=1S/C15H19FN6O/c1-3-11-14(16)15(19-10-18-11)22-6-4-21(5-7-22)12-8-17-9-13(20-12)23-2/h8-10H,3-7H2,1-2H3
InChIKeyRJCJZEDZUUSXBP-UHFFFAOYSA-N
XLogP1.30
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-ethyl-5-fluoro-6-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-fluoro-6-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]pyrimidine?
The IUPAC name of 4-ethyl-5-fluoro-6-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]pyrimidine (CID 75470617) is 4-ethyl-5-fluoro-6-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-ethyl-5-fluoro-6-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 4-ethyl-5-fluoro-6-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]pyrimidine is CCc1ncnc(N2CCN(c3cncc(OC)n3)CC2)c1F.
What is the InChIKey of 4-ethyl-5-fluoro-6-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]pyrimidine?
The InChIKey is RJCJZEDZUUSXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN6O/c1-3-11-14(16)15(19-10-18-11)22-6-4-21(5-7-22)12-8-17-9-13(20-12)23-2/h8-10H,3-7H2,1-2H3.
What are the key properties of 4-ethyl-5-fluoro-6-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]pyrimidine?
4-ethyl-5-fluoro-6-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]pyrimidine has a molecular weight of 318.36 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-fluoro-6-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 75470617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).