5-fluoro-2-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one

C15H21FN6O3S — CID 154830766

IUPAC5-fluoro-2-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N2CCN(S(=O)(=O)c3cn(C)cn3)CC2)[nH]c(=O)c1F
InChIInChI=1S/C15H21FN6O3S/c1-10(2)13-12(16)14(23)19-15(18-13)21-4-6-22(7-5-21)26(24,25)11-8-20(3)9-17-11/h8-10H,4-7H2,1-3H3,(H,18,19,23)
InChIKeyRMQGVUIZRZUNOA-UHFFFAOYSA-N
MW384.44 g/mol
LogP0.28
Rot. Bonds4

About 5-fluoro-2-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one

5-fluoro-2-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 154830766) has the molecular formula C15H21FN6O3S and a molecular weight of 384.44 g/mol. Its IUPAC name is 5-fluoro-2-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-fluoro-2-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one
PubChem CID154830766
Molecular FormulaC15H21FN6O3S
Molecular Weight384.44 g/mol
Exact Mass384.14
IUPAC Name5-fluoro-2-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N2CCN(S(=O)(=O)c3cn(C)cn3)CC2)[nH]c(=O)c1F
InChIInChI=1S/C15H21FN6O3S/c1-10(2)13-12(16)14(23)19-15(18-13)21-4-6-22(7-5-21)26(24,25)11-8-20(3)9-17-11/h8-10H,4-7H2,1-3H3,(H,18,19,23)
InChIKeyRMQGVUIZRZUNOA-UHFFFAOYSA-N
XLogP0.28
TPSA104.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-fluoro-2-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one (CID 154830766) is 5-fluoro-2-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-fluoro-2-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-fluoro-2-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(N2CCN(S(=O)(=O)c3cn(C)cn3)CC2)[nH]c(=O)c1F.
What is the InChIKey of 5-fluoro-2-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is RMQGVUIZRZUNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN6O3S/c1-10(2)13-12(16)14(23)19-15(18-13)21-4-6-22(7-5-21)26(24,25)11-8-20(3)9-17-11/h8-10H,4-7H2,1-3H3,(H,18,19,23).
What are the key properties of 5-fluoro-2-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one?
5-fluoro-2-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 384.44 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 154830766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).