6-hydroxy-1,3-dimethyl-5-(5-methyl-2-propan-2-ylpyrrolidin-3-yl)pyrimidine-2,4-dione

C14H23N3O3 — CID 11471546

IUPAC6-hydroxy-1,3-dimethyl-5-(5-methyl-2-propan-2-ylpyrrolidin-3-yl)pyrimidine-2,4-dione
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
InChIKeyDZCWXHADTYTYIE-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.28
Rot. Bonds2

About 6-hydroxy-1,3-dimethyl-5-(5-methyl-2-propan-2-ylpyrrolidin-3-yl)pyrimidine-2,4-dione

6-hydroxy-1,3-dimethyl-5-(5-methyl-2-propan-2-ylpyrrolidin-3-yl)pyrimidine-2,4-dione (PubChem CID 11471546) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 6-hydroxy-1,3-dimethyl-5-(5-methyl-2-propan-2-ylpyrrolidin-3-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1,3-dimethyl-5-(5-methyl-2-propan-2-ylpyrrolidin-3-yl)pyrimidine-2,4-dione
PubChem CID11471546
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name6-hydroxy-1,3-dimethyl-5-(5-methyl-2-propan-2-ylpyrrolidin-3-yl)pyrimidine-2,4-dione
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
InChIKeyDZCWXHADTYTYIE-UHFFFAOYSA-N
XLogP0.28
TPSA76.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.28
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-propan-2-ylpyrrolidin-3-yl)pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1,3-dimethyl-5-(5-methyl-2-propan-2-ylpyrrolidin-3-yl)pyrimidine-2,4-dione (CID 11471546) is 6-hydroxy-1,3-dimethyl-5-(5-methyl-2-propan-2-ylpyrrolidin-3-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1,3-dimethyl-5-(5-methyl-2-propan-2-ylpyrrolidin-3-yl)pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1,3-dimethyl-5-(5-methyl-2-propan-2-ylpyrrolidin-3-yl)pyrimidine-2,4-dione is CC1CC(c2c(O)n(C)c(=O)n(C)c2=O)C(C(C)C)N1.
What is the InChIKey of 6-hydroxy-1,3-dimethyl-5-(5-methyl-2-propan-2-ylpyrrolidin-3-yl)pyrimidine-2,4-dione?
The InChIKey is DZCWXHADTYTYIE-UHFFFAOYSA-N. 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.
What are the key properties of 6-hydroxy-1,3-dimethyl-5-(5-methyl-2-propan-2-ylpyrrolidin-3-yl)pyrimidine-2,4-dione?
6-hydroxy-1,3-dimethyl-5-(5-methyl-2-propan-2-ylpyrrolidin-3-yl)pyrimidine-2,4-dione has a molecular weight of 281.36 g/mol, XLogP of 0.28, 2 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-propan-2-ylpyrrolidin-3-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 11471546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).