4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-5-methylpyrimidine

C13H15FN6 — CID 139023254

IUPAC4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-5-methylpyrimidine
SMILESCc1cncnc1N1CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C13H15FN6/c1-10-6-15-9-18-12(10)19-2-4-20(5-3-19)13-16-7-11(14)8-17-13/h6-9H,2-5H2,1H3
InChIKeyBBJNIZSGPZTDAV-UHFFFAOYSA-N
MW274.30 g/mol
LogP1.04
Rot. Bonds2

About 4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-5-methylpyrimidine

4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-5-methylpyrimidine (PubChem CID 139023254) has the molecular formula C13H15FN6 and a molecular weight of 274.30 g/mol. Its IUPAC name is 4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-5-methylpyrimidine.

Molecular Properties

Compound Name4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-5-methylpyrimidine
PubChem CID139023254
Molecular FormulaC13H15FN6
Molecular Weight274.30 g/mol
Exact Mass274.13
IUPAC Name4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-5-methylpyrimidine
SMILESCc1cncnc1N1CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C13H15FN6/c1-10-6-15-9-18-12(10)19-2-4-20(5-3-19)13-16-7-11(14)8-17-13/h6-9H,2-5H2,1H3
InChIKeyBBJNIZSGPZTDAV-UHFFFAOYSA-N
XLogP1.04
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-5-methylpyrimidine?
The IUPAC name of 4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-5-methylpyrimidine (CID 139023254) is 4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-5-methylpyrimidine.
What is the SMILES notation for 4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-5-methylpyrimidine?
The canonical SMILES for 4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-5-methylpyrimidine is Cc1cncnc1N1CCN(c2ncc(F)cn2)CC1.
What is the InChIKey of 4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-5-methylpyrimidine?
The InChIKey is BBJNIZSGPZTDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN6/c1-10-6-15-9-18-12(10)19-2-4-20(5-3-19)13-16-7-11(14)8-17-13/h6-9H,2-5H2,1H3.
What are the key properties of 4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-5-methylpyrimidine?
4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-5-methylpyrimidine has a molecular weight of 274.30 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-5-methylpyrimidine is sourced from PubChem (CID 139023254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).