5-methyl-3-(pyrrolidin-2-ylmethyl)pyrimidin-4-one

C10H15N3O — CID 126857626

IUPAC5-methyl-3-(pyrrolidin-2-ylmethyl)pyrimidin-4-one
SMILESCc1cncn(CC2CCCN2)c1=O
InChIInChI=1S/C10H15N3O/c1-8-5-11-7-13(10(8)14)6-9-3-2-4-12-9/h5,7,9,12H,2-4,6H2,1H3
InChIKeyKDJYDOMZUVGDPJ-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.30
Rot. Bonds2

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

5-methyl-3-(pyrrolidin-2-ylmethyl)pyrimidin-4-one (PubChem CID 126857626) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 5-methyl-3-(pyrrolidin-2-ylmethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-methyl-3-(pyrrolidin-2-ylmethyl)pyrimidin-4-one
PubChem CID126857626
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name5-methyl-3-(pyrrolidin-2-ylmethyl)pyrimidin-4-one
SMILESCc1cncn(CC2CCCN2)c1=O
InChIInChI=1S/C10H15N3O/c1-8-5-11-7-13(10(8)14)6-9-3-2-4-12-9/h5,7,9,12H,2-4,6H2,1H3
InChIKeyKDJYDOMZUVGDPJ-UHFFFAOYSA-N
XLogP0.30
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclobutylmethyl)-5-methylpyrimidin-4-one
CID 126857617
3,4-dimethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolidine-2,5-dione
CID 102819845
1-methyl-5-(piperidin-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 63276978
5-iodo-3-(3-pyrrolidin-2-ylpropyl)pyrimidin-4-one
CID 66309078
3-[[(2S)-pyrrolidin-2-yl]methyl]thieno[3,2-d]pyrimidin-4-one
CID 102819743
5-methyl-2-[[(2R)-pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 106548752
8-chloro-3-(pyrrolidin-2-ylmethyl)quinazolin-4-one
CID 75690477
5-methyl-3-[[1-(oxan-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126940921
3-methyl-1-(3-pyrrolidin-2-ylpropyl)pyridin-2-one
CID 63172875
5-(2-methylpropyl)-1-(2-pyrrolidin-2-ylethyl)imidazole
CID 114794748
5-bromo-1-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-2-one
CID 102819741
5-chloro-1-(pyrrolidin-2-ylmethyl)pyrimidine-2,4-dione
CID 66423367

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(pyrrolidin-2-ylmethyl)pyrimidin-4-one?
The IUPAC name of 5-methyl-3-(pyrrolidin-2-ylmethyl)pyrimidin-4-one (CID 126857626) is 5-methyl-3-(pyrrolidin-2-ylmethyl)pyrimidin-4-one.
What is the SMILES notation for 5-methyl-3-(pyrrolidin-2-ylmethyl)pyrimidin-4-one?
The canonical SMILES for 5-methyl-3-(pyrrolidin-2-ylmethyl)pyrimidin-4-one is Cc1cncn(CC2CCCN2)c1=O.
What is the InChIKey of 5-methyl-3-(pyrrolidin-2-ylmethyl)pyrimidin-4-one?
The InChIKey is KDJYDOMZUVGDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-8-5-11-7-13(10(8)14)6-9-3-2-4-12-9/h5,7,9,12H,2-4,6H2,1H3.
What are the key properties of 5-methyl-3-(pyrrolidin-2-ylmethyl)pyrimidin-4-one?
5-methyl-3-(pyrrolidin-2-ylmethyl)pyrimidin-4-one has a molecular weight of 193.25 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(pyrrolidin-2-ylmethyl)pyrimidin-4-one is sourced from PubChem (CID 126857626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).