1,3-dimethyl-5-(5-methyl-2-propan-2-ylpyrrolidin-3-yl)-2,6-dioxopyrimidin-4-olate

C14H22N3O3- — CID 101221531

IUPAC1,3-dimethyl-5-(5-methyl-2-propan-2-ylpyrrolidin-3-yl)-2,6-dioxopyrimidin-4-olate
SMILESCC1CC(c2c([O-])n(C)c(=O)n(C)c2=O)C(C(C)C)N1
InChIInChI=1S/C14H23N3O3/c1-7(2)11-9(6-8(3)15-11)10-12(18)16(4)14(20)17(5)13(10)19/h7-9,11,15,18H,6H2,1-5H3/p-1
InChIKeyDZCWXHADTYTYIE-UHFFFAOYSA-M
MW280.35 g/mol
LogP-0.35
Rot. Bonds2

About 1,3-dimethyl-5-(5-methyl-2-propan-2-ylpyrrolidin-3-yl)-2,6-dioxopyrimidin-4-olate

1,3-dimethyl-5-(5-methyl-2-propan-2-ylpyrrolidin-3-yl)-2,6-dioxopyrimidin-4-olate (PubChem CID 101221531) has the molecular formula C14H22N3O3- and a molecular weight of 280.35 g/mol. Its IUPAC name is 1,3-dimethyl-5-(5-methyl-2-propan-2-ylpyrrolidin-3-yl)-2,6-dioxopyrimidin-4-olate.

Molecular Properties

Compound Name1,3-dimethyl-5-(5-methyl-2-propan-2-ylpyrrolidin-3-yl)-2,6-dioxopyrimidin-4-olate
PubChem CID101221531
Molecular FormulaC14H22N3O3-
Molecular Weight280.35 g/mol
Exact Mass280.17
IUPAC Name1,3-dimethyl-5-(5-methyl-2-propan-2-ylpyrrolidin-3-yl)-2,6-dioxopyrimidin-4-olate
SMILESCC1CC(c2c([O-])n(C)c(=O)n(C)c2=O)C(C(C)C)N1
InChIInChI=1S/C14H23N3O3/c1-7(2)11-9(6-8(3)15-11)10-12(18)16(4)14(20)17(5)13(10)19/h7-9,11,15,18H,6H2,1-5H3/p-1
InChIKeyDZCWXHADTYTYIE-UHFFFAOYSA-M
XLogP-0.35
TPSA79.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 5-0.35
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-propan-2-ylpyrrolidin-3-yl)-2,6-dioxopyrimidin-4-olate?
The IUPAC name of 1,3-dimethyl-5-(5-methyl-2-propan-2-ylpyrrolidin-3-yl)-2,6-dioxopyrimidin-4-olate (CID 101221531) is 1,3-dimethyl-5-(5-methyl-2-propan-2-ylpyrrolidin-3-yl)-2,6-dioxopyrimidin-4-olate.
What is the SMILES notation for 1,3-dimethyl-5-(5-methyl-2-propan-2-ylpyrrolidin-3-yl)-2,6-dioxopyrimidin-4-olate?
The canonical SMILES for 1,3-dimethyl-5-(5-methyl-2-propan-2-ylpyrrolidin-3-yl)-2,6-dioxopyrimidin-4-olate is CC1CC(c2c([O-])n(C)c(=O)n(C)c2=O)C(C(C)C)N1.
What is the InChIKey of 1,3-dimethyl-5-(5-methyl-2-propan-2-ylpyrrolidin-3-yl)-2,6-dioxopyrimidin-4-olate?
The InChIKey is DZCWXHADTYTYIE-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H23N3O3/c1-7(2)11-9(6-8(3)15-11)10-12(18)16(4)14(20)17(5)13(10)19/h7-9,11,15,18H,6H2,1-5H3/p-1.
What are the key properties of 1,3-dimethyl-5-(5-methyl-2-propan-2-ylpyrrolidin-3-yl)-2,6-dioxopyrimidin-4-olate?
1,3-dimethyl-5-(5-methyl-2-propan-2-ylpyrrolidin-3-yl)-2,6-dioxopyrimidin-4-olate has a molecular weight of 280.35 g/mol, XLogP of -0.35, 2 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-propan-2-ylpyrrolidin-3-yl)-2,6-dioxopyrimidin-4-olate is sourced from PubChem (CID 101221531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).