6-hydroxy-1,3-dimethyl-5-[5-methyl-2-(2-methylpropyl)pyrrolidin-3-yl]pyrimidine-2,4-dione

C15H25N3O3 — CID 12060245

IUPAC6-hydroxy-1,3-dimethyl-5-[5-methyl-2-(2-methylpropyl)pyrrolidin-3-yl]pyrimidine-2,4-dione
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
InChIKeyPHLIRJXPAKDFKO-UHFFFAOYSA-N
MW295.38 g/mol
LogP0.67
Rot. Bonds3

About 6-hydroxy-1,3-dimethyl-5-[5-methyl-2-(2-methylpropyl)pyrrolidin-3-yl]pyrimidine-2,4-dione

6-hydroxy-1,3-dimethyl-5-[5-methyl-2-(2-methylpropyl)pyrrolidin-3-yl]pyrimidine-2,4-dione (PubChem CID 12060245) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 6-hydroxy-1,3-dimethyl-5-[5-methyl-2-(2-methylpropyl)pyrrolidin-3-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1,3-dimethyl-5-[5-methyl-2-(2-methylpropyl)pyrrolidin-3-yl]pyrimidine-2,4-dione
PubChem CID12060245
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name6-hydroxy-1,3-dimethyl-5-[5-methyl-2-(2-methylpropyl)pyrrolidin-3-yl]pyrimidine-2,4-dione
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
InChIKeyPHLIRJXPAKDFKO-UHFFFAOYSA-N
XLogP0.67
TPSA76.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1,3-dimethyl-5-[5-methyl-2-(2-methylpropyl)pyrrolidin-3-yl]pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1,3-dimethyl-5-[5-methyl-2-(2-methylpropyl)pyrrolidin-3-yl]pyrimidine-2,4-dione (CID 12060245) is 6-hydroxy-1,3-dimethyl-5-[5-methyl-2-(2-methylpropyl)pyrrolidin-3-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1,3-dimethyl-5-[5-methyl-2-(2-methylpropyl)pyrrolidin-3-yl]pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1,3-dimethyl-5-[5-methyl-2-(2-methylpropyl)pyrrolidin-3-yl]pyrimidine-2,4-dione is CC(C)CC1NC(C)CC1c1c(O)n(C)c(=O)n(C)c1=O.
What is the InChIKey of 6-hydroxy-1,3-dimethyl-5-[5-methyl-2-(2-methylpropyl)pyrrolidin-3-yl]pyrimidine-2,4-dione?
The InChIKey is PHLIRJXPAKDFKO-UHFFFAOYSA-N. 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.
What are the key properties of 6-hydroxy-1,3-dimethyl-5-[5-methyl-2-(2-methylpropyl)pyrrolidin-3-yl]pyrimidine-2,4-dione?
6-hydroxy-1,3-dimethyl-5-[5-methyl-2-(2-methylpropyl)pyrrolidin-3-yl]pyrimidine-2,4-dione has a molecular weight of 295.38 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1,3-dimethyl-5-[5-methyl-2-(2-methylpropyl)pyrrolidin-3-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 12060245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).