3-methyl-6-pyrrolidin-3-yloxypyrimidin-4-one

C9H13N3O2 — CID 126954694

IUPAC3-methyl-6-pyrrolidin-3-yloxypyrimidin-4-one
SMILESCn1cnc(OC2CCNC2)cc1=O
InChIInChI=1S/C9H13N3O2/c1-12-6-11-8(4-9(12)13)14-7-2-3-10-5-7/h4,6-7,10H,2-3,5H2,1H3
InChIKeyYRONRZIREVOFJF-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.48
Rot. Bonds2

About 3-methyl-6-pyrrolidin-3-yloxypyrimidin-4-one

3-methyl-6-pyrrolidin-3-yloxypyrimidin-4-one (PubChem CID 126954694) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 3-methyl-6-pyrrolidin-3-yloxypyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-6-pyrrolidin-3-yloxypyrimidin-4-one
PubChem CID126954694
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name3-methyl-6-pyrrolidin-3-yloxypyrimidin-4-one
SMILESCn1cnc(OC2CCNC2)cc1=O
InChIInChI=1S/C9H13N3O2/c1-12-6-11-8(4-9(12)13)14-7-2-3-10-5-7/h4,6-7,10H,2-3,5H2,1H3
InChIKeyYRONRZIREVOFJF-UHFFFAOYSA-N
XLogP-0.48
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-pyrrolidin-3-yloxypyrimidin-4-one?
The IUPAC name of 3-methyl-6-pyrrolidin-3-yloxypyrimidin-4-one (CID 126954694) is 3-methyl-6-pyrrolidin-3-yloxypyrimidin-4-one.
What is the SMILES notation for 3-methyl-6-pyrrolidin-3-yloxypyrimidin-4-one?
The canonical SMILES for 3-methyl-6-pyrrolidin-3-yloxypyrimidin-4-one is Cn1cnc(OC2CCNC2)cc1=O.
What is the InChIKey of 3-methyl-6-pyrrolidin-3-yloxypyrimidin-4-one?
The InChIKey is YRONRZIREVOFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-12-6-11-8(4-9(12)13)14-7-2-3-10-5-7/h4,6-7,10H,2-3,5H2,1H3.
What are the key properties of 3-methyl-6-pyrrolidin-3-yloxypyrimidin-4-one?
3-methyl-6-pyrrolidin-3-yloxypyrimidin-4-one has a molecular weight of 195.22 g/mol, XLogP of -0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-pyrrolidin-3-yloxypyrimidin-4-one is sourced from PubChem (CID 126954694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).