ethane;2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-5-methylpyrimidine

C16H22FN5 — CID 178161753

IUPACethane;2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-5-methylpyrimidine
SMILESCC.Cc1cnc(N2CCN(c3ccc(F)cn3)CC2)nc1
InChIInChI=1S/C14H16FN5.C2H6/c1-11-8-17-14(18-9-11)20-6-4-19(5-7-20)13-3-2-12(15)10-16-13;1-2/h2-3,8-10H,4-7H2,1H3;1-2H3
InChIKeyJQUWZBZZIFERDG-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.67
Rot. Bonds2

About ethane;2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-5-methylpyrimidine

ethane;2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-5-methylpyrimidine (PubChem CID 178161753) has the molecular formula C16H22FN5 and a molecular weight of 303.39 g/mol. Its IUPAC name is ethane;2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-5-methylpyrimidine.

Molecular Properties

Compound Nameethane;2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-5-methylpyrimidine
PubChem CID178161753
Molecular FormulaC16H22FN5
Molecular Weight303.39 g/mol
Exact Mass303.19
IUPAC Nameethane;2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-5-methylpyrimidine
SMILESCC.Cc1cnc(N2CCN(c3ccc(F)cn3)CC2)nc1
InChIInChI=1S/C14H16FN5.C2H6/c1-11-8-17-14(18-9-11)20-6-4-19(5-7-20)13-3-2-12(15)10-16-13;1-2/h2-3,8-10H,4-7H2,1H3;1-2H3
InChIKeyJQUWZBZZIFERDG-UHFFFAOYSA-N
XLogP2.67
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethane;2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-5-methylpyrimidine?
The IUPAC name of ethane;2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-5-methylpyrimidine (CID 178161753) is ethane;2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-5-methylpyrimidine.
What is the SMILES notation for ethane;2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-5-methylpyrimidine?
The canonical SMILES for ethane;2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-5-methylpyrimidine is CC.Cc1cnc(N2CCN(c3ccc(F)cn3)CC2)nc1.
What is the InChIKey of ethane;2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-5-methylpyrimidine?
The InChIKey is JQUWZBZZIFERDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN5.C2H6/c1-11-8-17-14(18-9-11)20-6-4-19(5-7-20)13-3-2-12(15)10-16-13;1-2/h2-3,8-10H,4-7H2,1H3;1-2H3.
What are the key properties of ethane;2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-5-methylpyrimidine?
ethane;2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-5-methylpyrimidine has a molecular weight of 303.39 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-5-methylpyrimidine is sourced from PubChem (CID 178161753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).