5-methyl-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one

C10H15N3O — CID 84664925

IUPAC5-methyl-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one
SMILESCc1cnc(CC2CCNC2)[nH]c1=O
InChIInChI=1S/C10H15N3O/c1-7-5-12-9(13-10(7)14)4-8-2-3-11-6-8/h5,8,11H,2-4,6H2,1H3,(H,12,13,14)
InChIKeyOMFQVRBRBZIITF-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.23
Rot. Bonds2

About 5-methyl-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one

5-methyl-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 84664925) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 5-methyl-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methyl-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one
PubChem CID84664925
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name5-methyl-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one
SMILESCc1cnc(CC2CCNC2)[nH]c1=O
InChIInChI=1S/C10H15N3O/c1-7-5-12-9(13-10(7)14)4-8-2-3-11-6-8/h5,8,11H,2-4,6H2,1H3,(H,12,13,14)
InChIKeyOMFQVRBRBZIITF-UHFFFAOYSA-N
XLogP0.23
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-methyl-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one (CID 84664925) is 5-methyl-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methyl-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-methyl-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one is Cc1cnc(CC2CCNC2)[nH]c1=O.
What is the InChIKey of 5-methyl-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is OMFQVRBRBZIITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-7-5-12-9(13-10(7)14)4-8-2-3-11-6-8/h5,8,11H,2-4,6H2,1H3,(H,12,13,14).
What are the key properties of 5-methyl-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one?
5-methyl-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 193.25 g/mol, XLogP of 0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 84664925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).