2-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-4-pyridin-3-ylpyrimidine

C17H16FN7 — CID 163351985

IUPAC2-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-4-pyridin-3-ylpyrimidine
SMILESFc1cncnc1N1CCN(c2nccc(-c3cccnc3)n2)CC1
InChIInChI=1S/C17H16FN7/c18-14-11-20-12-22-16(14)24-6-8-25(9-7-24)17-21-5-3-15(23-17)13-2-1-4-19-10-13/h1-5,10-12H,6-9H2
InChIKeyOWINLDISSONFKL-UHFFFAOYSA-N
MW337.36 g/mol
LogP1.79
Rot. Bonds3

About 2-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-4-pyridin-3-ylpyrimidine

2-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-4-pyridin-3-ylpyrimidine (PubChem CID 163351985) has the molecular formula C17H16FN7 and a molecular weight of 337.36 g/mol. Its IUPAC name is 2-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-4-pyridin-3-ylpyrimidine.

Molecular Properties

Compound Name2-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-4-pyridin-3-ylpyrimidine
PubChem CID163351985
Molecular FormulaC17H16FN7
Molecular Weight337.36 g/mol
Exact Mass337.15
IUPAC Name2-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-4-pyridin-3-ylpyrimidine
SMILESFc1cncnc1N1CCN(c2nccc(-c3cccnc3)n2)CC1
InChIInChI=1S/C17H16FN7/c18-14-11-20-12-22-16(14)24-6-8-25(9-7-24)17-21-5-3-15(23-17)13-2-1-4-19-10-13/h1-5,10-12H,6-9H2
InChIKeyOWINLDISSONFKL-UHFFFAOYSA-N
XLogP1.79
TPSA70.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-4-pyridin-3-ylpyrimidine?
The IUPAC name of 2-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-4-pyridin-3-ylpyrimidine (CID 163351985) is 2-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-4-pyridin-3-ylpyrimidine.
What is the SMILES notation for 2-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-4-pyridin-3-ylpyrimidine?
The canonical SMILES for 2-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-4-pyridin-3-ylpyrimidine is Fc1cncnc1N1CCN(c2nccc(-c3cccnc3)n2)CC1.
What is the InChIKey of 2-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-4-pyridin-3-ylpyrimidine?
The InChIKey is OWINLDISSONFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN7/c18-14-11-20-12-22-16(14)24-6-8-25(9-7-24)17-21-5-3-15(23-17)13-2-1-4-19-10-13/h1-5,10-12H,6-9H2.
What are the key properties of 2-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-4-pyridin-3-ylpyrimidine?
2-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-4-pyridin-3-ylpyrimidine has a molecular weight of 337.36 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-4-pyridin-3-ylpyrimidine is sourced from PubChem (CID 163351985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).