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

C10H15N3O — CID 84664926

IUPAC5-methyl-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one
SMILESCc1cnc(CC2CCCN2)[nH]c1=O
InChIInChI=1S/C10H15N3O/c1-7-6-12-9(13-10(7)14)5-8-3-2-4-11-8/h6,8,11H,2-5H2,1H3,(H,12,13,14)
InChIKeyQKUHONZOBUMXOW-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.37
Rot. Bonds2

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

5-methyl-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 84664926) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 5-methyl-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methyl-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one
PubChem CID84664926
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name5-methyl-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one
SMILESCc1cnc(CC2CCCN2)[nH]c1=O
InChIInChI=1S/C10H15N3O/c1-7-6-12-9(13-10(7)14)5-8-3-2-4-11-8/h6,8,11H,2-5H2,1H3,(H,12,13,14)
InChIKeyQKUHONZOBUMXOW-UHFFFAOYSA-N
XLogP0.37
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 ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-dimethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 20438513
3,6-dimethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
CID 20438531
6-methyl-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-3-carboxamide
CID 20438535
(6R)-3,6-dimethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 58681908
5-ethyl-2-pyrrolidin-3-yl-1H-pyrimidin-6-one
CID 84664919
2-butyl-5-methyl-1H-pyrimidin-6-one
CID 161634857
1,6-dimethyl-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-1-ium-3-carboxamide
CID 20438529
5-(aminomethyl)-2-propyl-1H-pyrimidin-6-one
CID 82503030
5-(methylaminomethyl)-2-propyl-1H-pyrimidin-6-one
CID 84110338
2-cyclopentyl-5-(methylaminomethyl)-1H-pyrimidin-6-one
CID 84120060
2-(2-aminopropyl)-5-methyl-1H-pyrimidin-6-one
CID 84652721
5-methyl-2-pyrrolidin-3-yl-1H-pyrimidin-6-one
CID 84656984

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-methyl-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one (CID 84664926) is 5-methyl-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methyl-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-methyl-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one is Cc1cnc(CC2CCCN2)[nH]c1=O.
What is the InChIKey of 5-methyl-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is QKUHONZOBUMXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-7-6-12-9(13-10(7)14)5-8-3-2-4-11-8/h6,8,11H,2-5H2,1H3,(H,12,13,14).
What are the key properties of 5-methyl-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one?
5-methyl-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 193.25 g/mol, XLogP of 0.37, 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-2-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 84664926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).