5-methyl-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one

C11H17N3O — CID 126857586

IUPAC5-methyl-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one
SMILESCc1cncn(CCN2CCCC2)c1=O
InChIInChI=1S/C11H17N3O/c1-10-8-12-9-14(11(10)15)7-6-13-4-2-3-5-13/h8-9H,2-7H2,1H3
InChIKeyCSCSEUAGUPYTRF-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.65
Rot. Bonds3

About 5-methyl-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one

5-methyl-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one (PubChem CID 126857586) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 5-methyl-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-methyl-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one
PubChem CID126857586
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name5-methyl-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one
SMILESCc1cncn(CCN2CCCC2)c1=O
InChIInChI=1S/C11H17N3O/c1-10-8-12-9-14(11(10)15)7-6-13-4-2-3-5-13/h8-9H,2-7H2,1H3
InChIKeyCSCSEUAGUPYTRF-UHFFFAOYSA-N
XLogP0.65
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one?
The IUPAC name of 5-methyl-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one (CID 126857586) is 5-methyl-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one.
What is the SMILES notation for 5-methyl-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one?
The canonical SMILES for 5-methyl-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one is Cc1cncn(CCN2CCCC2)c1=O.
What is the InChIKey of 5-methyl-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one?
The InChIKey is CSCSEUAGUPYTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-10-8-12-9-14(11(10)15)7-6-13-4-2-3-5-13/h8-9H,2-7H2,1H3.
What are the key properties of 5-methyl-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one?
5-methyl-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one has a molecular weight of 207.28 g/mol, XLogP of 0.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one is sourced from PubChem (CID 126857586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).