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

C15H20N4O3 — CID 56811377

IUPAC1,3-dimethyl-6-[[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]pyrimidine-2,4-dione
SMILESCc1cc(C2CCCN2Cc2cc(=O)n(C)c(=O)n2C)no1
InChIInChI=1S/C15H20N4O3/c1-10-7-12(16-22-10)13-5-4-6-19(13)9-11-8-14(20)18(3)15(21)17(11)2/h7-8,13H,4-6,9H2,1-3H3
InChIKeyQACBCEUBKRPYBW-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.72
Rot. Bonds3

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

1,3-dimethyl-6-[[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]pyrimidine-2,4-dione (PubChem CID 56811377) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 1,3-dimethyl-6-[[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-[[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]pyrimidine-2,4-dione
PubChem CID56811377
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name1,3-dimethyl-6-[[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]pyrimidine-2,4-dione
SMILESCc1cc(C2CCCN2Cc2cc(=O)n(C)c(=O)n2C)no1
InChIInChI=1S/C15H20N4O3/c1-10-7-12(16-22-10)13-5-4-6-19(13)9-11-8-14(20)18(3)15(21)17(11)2/h7-8,13H,4-6,9H2,1-3H3
InChIKeyQACBCEUBKRPYBW-UHFFFAOYSA-N
XLogP0.72
TPSA73.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-[[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-[[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]pyrimidine-2,4-dione (CID 56811377) is 1,3-dimethyl-6-[[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-[[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-[[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]pyrimidine-2,4-dione is Cc1cc(C2CCCN2Cc2cc(=O)n(C)c(=O)n2C)no1.
What is the InChIKey of 1,3-dimethyl-6-[[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]pyrimidine-2,4-dione?
The InChIKey is QACBCEUBKRPYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-10-7-12(16-22-10)13-5-4-6-19(13)9-11-8-14(20)18(3)15(21)17(11)2/h7-8,13H,4-6,9H2,1-3H3.
What are the key properties of 1,3-dimethyl-6-[[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]pyrimidine-2,4-dione?
1,3-dimethyl-6-[[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]pyrimidine-2,4-dione has a molecular weight of 304.35 g/mol, XLogP of 0.72, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-[[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 56811377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).