5-fluoro-2-[4-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperazin-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one

C17H24FN5O3 — CID 154830638

IUPAC5-fluoro-2-[4-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperazin-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N2CCN(C(=O)C3CC(=O)N(C)C3)CC2)[nH]c(=O)c1F
InChIInChI=1S/C17H24FN5O3/c1-10(2)14-13(18)15(25)20-17(19-14)23-6-4-22(5-7-23)16(26)11-8-12(24)21(3)9-11/h10-11H,4-9H2,1-3H3,(H,19,20,25)
InChIKeyZTAOPAWLRFLCAE-UHFFFAOYSA-N
MW365.41 g/mol
LogP0.16
Rot. Bonds3

About 5-fluoro-2-[4-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperazin-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one

5-fluoro-2-[4-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperazin-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 154830638) has the molecular formula C17H24FN5O3 and a molecular weight of 365.41 g/mol. Its IUPAC name is 5-fluoro-2-[4-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperazin-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-fluoro-2-[4-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperazin-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one
PubChem CID154830638
Molecular FormulaC17H24FN5O3
Molecular Weight365.41 g/mol
Exact Mass365.19
IUPAC Name5-fluoro-2-[4-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperazin-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N2CCN(C(=O)C3CC(=O)N(C)C3)CC2)[nH]c(=O)c1F
InChIInChI=1S/C17H24FN5O3/c1-10(2)14-13(18)15(25)20-17(19-14)23-6-4-22(5-7-23)16(26)11-8-12(24)21(3)9-11/h10-11H,4-9H2,1-3H3,(H,19,20,25)
InChIKeyZTAOPAWLRFLCAE-UHFFFAOYSA-N
XLogP0.16
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[4-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperazin-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-fluoro-2-[4-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperazin-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one (CID 154830638) is 5-fluoro-2-[4-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperazin-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-fluoro-2-[4-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperazin-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-fluoro-2-[4-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperazin-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(N2CCN(C(=O)C3CC(=O)N(C)C3)CC2)[nH]c(=O)c1F.
What is the InChIKey of 5-fluoro-2-[4-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperazin-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is ZTAOPAWLRFLCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN5O3/c1-10(2)14-13(18)15(25)20-17(19-14)23-6-4-22(5-7-23)16(26)11-8-12(24)21(3)9-11/h10-11H,4-9H2,1-3H3,(H,19,20,25).
What are the key properties of 5-fluoro-2-[4-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperazin-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one?
5-fluoro-2-[4-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperazin-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 365.41 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[4-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperazin-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 154830638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).