2,4-dimethyl-5-[2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one

C15H19N5O3 — CID 137098608

IUPAC2,4-dimethyl-5-[2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one
SMILESCc1noc([C@@H]2CCN(C(=O)Cc3c(C)nc(C)[nH]c3=O)C2)n1
InChIInChI=1S/C15H19N5O3/c1-8-12(14(22)17-9(2)16-8)6-13(21)20-5-4-11(7-20)15-18-10(3)19-23-15/h11H,4-7H2,1-3H3,(H,16,17,22)/t11-/m1/s1
InChIKeyOORQUGFGLFPUNU-LLVKDONJSA-N
MW317.35 g/mol
LogP0.64
Rot. Bonds3

About 2,4-dimethyl-5-[2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one

2,4-dimethyl-5-[2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one (PubChem CID 137098608) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is 2,4-dimethyl-5-[2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,4-dimethyl-5-[2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one
PubChem CID137098608
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Name2,4-dimethyl-5-[2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one
SMILESCc1noc([C@@H]2CCN(C(=O)Cc3c(C)nc(C)[nH]c3=O)C2)n1
InChIInChI=1S/C15H19N5O3/c1-8-12(14(22)17-9(2)16-8)6-13(21)20-5-4-11(7-20)15-18-10(3)19-23-15/h11H,4-7H2,1-3H3,(H,16,17,22)/t11-/m1/s1
InChIKeyOORQUGFGLFPUNU-LLVKDONJSA-N
XLogP0.64
TPSA104.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-[2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one?
The IUPAC name of 2,4-dimethyl-5-[2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one (CID 137098608) is 2,4-dimethyl-5-[2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2,4-dimethyl-5-[2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2,4-dimethyl-5-[2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one is Cc1noc([C@@H]2CCN(C(=O)Cc3c(C)nc(C)[nH]c3=O)C2)n1.
What is the InChIKey of 2,4-dimethyl-5-[2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one?
The InChIKey is OORQUGFGLFPUNU-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-8-12(14(22)17-9(2)16-8)6-13(21)20-5-4-11(7-20)15-18-10(3)19-23-15/h11H,4-7H2,1-3H3,(H,16,17,22)/t11-/m1/s1.
What are the key properties of 2,4-dimethyl-5-[2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one?
2,4-dimethyl-5-[2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one has a molecular weight of 317.35 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-[2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137098608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).