1-[2-(3-ethyl-5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-4-fluoropyrrolidine-2-carboxamide

C14H19FN4O4 — CID 170519087

IUPAC1-[2-(3-ethyl-5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-4-fluoropyrrolidine-2-carboxamide
SMILESCCn1c(=O)c(C)cn(CC(=O)N2CC(F)CC2C(N)=O)c1=O
InChIInChI=1S/C14H19FN4O4/c1-3-18-13(22)8(2)5-17(14(18)23)7-11(20)19-6-9(15)4-10(19)12(16)21/h5,9-10H,3-4,6-7H2,1-2H3,(H2,16,21)
InChIKeyNOIZGGASRNEKSP-UHFFFAOYSA-N
MW326.33 g/mol
LogP-1.24
Rot. Bonds4

About 1-[2-(3-ethyl-5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-4-fluoropyrrolidine-2-carboxamide

1-[2-(3-ethyl-5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-4-fluoropyrrolidine-2-carboxamide (PubChem CID 170519087) has the molecular formula C14H19FN4O4 and a molecular weight of 326.33 g/mol. Its IUPAC name is 1-[2-(3-ethyl-5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-4-fluoropyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(3-ethyl-5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-4-fluoropyrrolidine-2-carboxamide
PubChem CID170519087
Molecular FormulaC14H19FN4O4
Molecular Weight326.33 g/mol
Exact Mass326.14
IUPAC Name1-[2-(3-ethyl-5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-4-fluoropyrrolidine-2-carboxamide
SMILESCCn1c(=O)c(C)cn(CC(=O)N2CC(F)CC2C(N)=O)c1=O
InChIInChI=1S/C14H19FN4O4/c1-3-18-13(22)8(2)5-17(14(18)23)7-11(20)19-6-9(15)4-10(19)12(16)21/h5,9-10H,3-4,6-7H2,1-2H3,(H2,16,21)
InChIKeyNOIZGGASRNEKSP-UHFFFAOYSA-N
XLogP-1.24
TPSA107.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 5-1.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-ethyl-5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-4-fluoropyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-(3-ethyl-5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-4-fluoropyrrolidine-2-carboxamide (CID 170519087) is 1-[2-(3-ethyl-5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-4-fluoropyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-(3-ethyl-5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-4-fluoropyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-(3-ethyl-5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-4-fluoropyrrolidine-2-carboxamide is CCn1c(=O)c(C)cn(CC(=O)N2CC(F)CC2C(N)=O)c1=O.
What is the InChIKey of 1-[2-(3-ethyl-5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-4-fluoropyrrolidine-2-carboxamide?
The InChIKey is NOIZGGASRNEKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4O4/c1-3-18-13(22)8(2)5-17(14(18)23)7-11(20)19-6-9(15)4-10(19)12(16)21/h5,9-10H,3-4,6-7H2,1-2H3,(H2,16,21).
What are the key properties of 1-[2-(3-ethyl-5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-4-fluoropyrrolidine-2-carboxamide?
1-[2-(3-ethyl-5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-4-fluoropyrrolidine-2-carboxamide has a molecular weight of 326.33 g/mol, XLogP of -1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-ethyl-5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-4-fluoropyrrolidine-2-carboxamide is sourced from PubChem (CID 170519087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).