1,3-dimethyl-5-[5-methyl-2-(2-methylpropyl)pyrrolidin-3-yl]-2,6-dioxopyrimidin-4-olate

C15H24N3O3- — CID 101221532

IUPAC1,3-dimethyl-5-[5-methyl-2-(2-methylpropyl)pyrrolidin-3-yl]-2,6-dioxopyrimidin-4-olate
SMILESCC(C)CC1NC(C)CC1c1c([O-])n(C)c(=O)n(C)c1=O
InChIInChI=1S/C15H25N3O3/c1-8(2)6-11-10(7-9(3)16-11)12-13(19)17(4)15(21)18(5)14(12)20/h8-11,16,19H,6-7H2,1-5H3/p-1
InChIKeyPHLIRJXPAKDFKO-UHFFFAOYSA-M
MW294.38 g/mol
LogP0.04
Rot. Bonds3

About 1,3-dimethyl-5-[5-methyl-2-(2-methylpropyl)pyrrolidin-3-yl]-2,6-dioxopyrimidin-4-olate

1,3-dimethyl-5-[5-methyl-2-(2-methylpropyl)pyrrolidin-3-yl]-2,6-dioxopyrimidin-4-olate (PubChem CID 101221532) has the molecular formula C15H24N3O3- and a molecular weight of 294.38 g/mol. Its IUPAC name is 1,3-dimethyl-5-[5-methyl-2-(2-methylpropyl)pyrrolidin-3-yl]-2,6-dioxopyrimidin-4-olate.

Molecular Properties

Compound Name1,3-dimethyl-5-[5-methyl-2-(2-methylpropyl)pyrrolidin-3-yl]-2,6-dioxopyrimidin-4-olate
PubChem CID101221532
Molecular FormulaC15H24N3O3-
Molecular Weight294.38 g/mol
Exact Mass294.18
IUPAC Name1,3-dimethyl-5-[5-methyl-2-(2-methylpropyl)pyrrolidin-3-yl]-2,6-dioxopyrimidin-4-olate
SMILESCC(C)CC1NC(C)CC1c1c([O-])n(C)c(=O)n(C)c1=O
InChIInChI=1S/C15H25N3O3/c1-8(2)6-11-10(7-9(3)16-11)12-13(19)17(4)15(21)18(5)14(12)20/h8-11,16,19H,6-7H2,1-5H3/p-1
InChIKeyPHLIRJXPAKDFKO-UHFFFAOYSA-M
XLogP0.04
TPSA79.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[5-methyl-2-(2-methylpropyl)pyrrolidin-3-yl]-2,6-dioxopyrimidin-4-olate?
The IUPAC name of 1,3-dimethyl-5-[5-methyl-2-(2-methylpropyl)pyrrolidin-3-yl]-2,6-dioxopyrimidin-4-olate (CID 101221532) is 1,3-dimethyl-5-[5-methyl-2-(2-methylpropyl)pyrrolidin-3-yl]-2,6-dioxopyrimidin-4-olate.
What is the SMILES notation for 1,3-dimethyl-5-[5-methyl-2-(2-methylpropyl)pyrrolidin-3-yl]-2,6-dioxopyrimidin-4-olate?
The canonical SMILES for 1,3-dimethyl-5-[5-methyl-2-(2-methylpropyl)pyrrolidin-3-yl]-2,6-dioxopyrimidin-4-olate is CC(C)CC1NC(C)CC1c1c([O-])n(C)c(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-5-[5-methyl-2-(2-methylpropyl)pyrrolidin-3-yl]-2,6-dioxopyrimidin-4-olate?
The InChIKey is PHLIRJXPAKDFKO-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H25N3O3/c1-8(2)6-11-10(7-9(3)16-11)12-13(19)17(4)15(21)18(5)14(12)20/h8-11,16,19H,6-7H2,1-5H3/p-1.
What are the key properties of 1,3-dimethyl-5-[5-methyl-2-(2-methylpropyl)pyrrolidin-3-yl]-2,6-dioxopyrimidin-4-olate?
1,3-dimethyl-5-[5-methyl-2-(2-methylpropyl)pyrrolidin-3-yl]-2,6-dioxopyrimidin-4-olate has a molecular weight of 294.38 g/mol, XLogP of 0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[5-methyl-2-(2-methylpropyl)pyrrolidin-3-yl]-2,6-dioxopyrimidin-4-olate is sourced from PubChem (CID 101221532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).