2-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one

C15H19FN6O — CID 154853509

IUPAC2-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one
SMILESCCc1cnc(N2CCN(c3nc(C)c(F)c(=O)[nH]3)CC2)nc1
InChIInChI=1S/C15H19FN6O/c1-3-11-8-17-14(18-9-11)21-4-6-22(7-5-21)15-19-10(2)12(16)13(23)20-15/h8-9H,3-7H2,1-2H3,(H,19,20,23)
InChIKeyGPONZIRXGJQWAD-UHFFFAOYSA-N
MW318.36 g/mol
LogP0.90
Rot. Bonds3

About 2-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one

2-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one (PubChem CID 154853509) has the molecular formula C15H19FN6O and a molecular weight of 318.36 g/mol. Its IUPAC name is 2-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one
PubChem CID154853509
Molecular FormulaC15H19FN6O
Molecular Weight318.36 g/mol
Exact Mass318.16
IUPAC Name2-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one
SMILESCCc1cnc(N2CCN(c3nc(C)c(F)c(=O)[nH]3)CC2)nc1
InChIInChI=1S/C15H19FN6O/c1-3-11-8-17-14(18-9-11)21-4-6-22(7-5-21)15-19-10(2)12(16)13(23)20-15/h8-9H,3-7H2,1-2H3,(H,19,20,23)
InChIKeyGPONZIRXGJQWAD-UHFFFAOYSA-N
XLogP0.90
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one (CID 154853509) is 2-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one is CCc1cnc(N2CCN(c3nc(C)c(F)c(=O)[nH]3)CC2)nc1.
What is the InChIKey of 2-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one?
The InChIKey is GPONZIRXGJQWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN6O/c1-3-11-8-17-14(18-9-11)21-4-6-22(7-5-21)15-19-10(2)12(16)13(23)20-15/h8-9H,3-7H2,1-2H3,(H,19,20,23).
What are the key properties of 2-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one?
2-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one has a molecular weight of 318.36 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 154853509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).