6-methyl-3-[2-oxo-2-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]ethyl]pyrimidin-4-one

C13H16N6O2 — CID 124891828

IUPAC6-methyl-3-[2-oxo-2-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]ethyl]pyrimidin-4-one
SMILESCc1cc(=O)n(CC(=O)N2CC[C@@H](n3nccn3)C2)cn1
InChIInChI=1S/C13H16N6O2/c1-10-6-12(20)18(9-14-10)8-13(21)17-5-2-11(7-17)19-15-3-4-16-19/h3-4,6,9,11H,2,5,7-8H2,1H3/t11-/m1/s1
InChIKeyHJTISZYJXKHENR-LLVKDONJSA-N
MW288.31 g/mol
LogP-0.38
Rot. Bonds3

About 6-methyl-3-[2-oxo-2-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]ethyl]pyrimidin-4-one

6-methyl-3-[2-oxo-2-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]ethyl]pyrimidin-4-one (PubChem CID 124891828) has the molecular formula C13H16N6O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 6-methyl-3-[2-oxo-2-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-3-[2-oxo-2-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]ethyl]pyrimidin-4-one
PubChem CID124891828
Molecular FormulaC13H16N6O2
Molecular Weight288.31 g/mol
Exact Mass288.13
IUPAC Name6-methyl-3-[2-oxo-2-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]ethyl]pyrimidin-4-one
SMILESCc1cc(=O)n(CC(=O)N2CC[C@@H](n3nccn3)C2)cn1
InChIInChI=1S/C13H16N6O2/c1-10-6-12(20)18(9-14-10)8-13(21)17-5-2-11(7-17)19-15-3-4-16-19/h3-4,6,9,11H,2,5,7-8H2,1H3/t11-/m1/s1
InChIKeyHJTISZYJXKHENR-LLVKDONJSA-N
XLogP-0.38
TPSA85.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 5-0.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[2-oxo-2-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]ethyl]pyrimidin-4-one?
The IUPAC name of 6-methyl-3-[2-oxo-2-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]ethyl]pyrimidin-4-one (CID 124891828) is 6-methyl-3-[2-oxo-2-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]ethyl]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-3-[2-oxo-2-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]ethyl]pyrimidin-4-one?
The canonical SMILES for 6-methyl-3-[2-oxo-2-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]ethyl]pyrimidin-4-one is Cc1cc(=O)n(CC(=O)N2CC[C@@H](n3nccn3)C2)cn1.
What is the InChIKey of 6-methyl-3-[2-oxo-2-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]ethyl]pyrimidin-4-one?
The InChIKey is HJTISZYJXKHENR-LLVKDONJSA-N. The full InChI is InChI=1S/C13H16N6O2/c1-10-6-12(20)18(9-14-10)8-13(21)17-5-2-11(7-17)19-15-3-4-16-19/h3-4,6,9,11H,2,5,7-8H2,1H3/t11-/m1/s1.
What are the key properties of 6-methyl-3-[2-oxo-2-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]ethyl]pyrimidin-4-one?
6-methyl-3-[2-oxo-2-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]ethyl]pyrimidin-4-one has a molecular weight of 288.31 g/mol, XLogP of -0.38, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[2-oxo-2-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]ethyl]pyrimidin-4-one is sourced from PubChem (CID 124891828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).