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

C13H19N3O — CID 84696945

IUPAC5-cyclobutyl-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(CC2CCCN2)ncc1C1CCC1
InChIInChI=1S/C13H19N3O/c17-13-11(9-3-1-4-9)8-15-12(16-13)7-10-5-2-6-14-10/h8-10,14H,1-7H2,(H,15,16,17)
InChIKeyLFJADAXWECZUMT-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.33
Rot. Bonds3

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

5-cyclobutyl-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 84696945) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 5-cyclobutyl-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-cyclobutyl-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one
PubChem CID84696945
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name5-cyclobutyl-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(CC2CCCN2)ncc1C1CCC1
InChIInChI=1S/C13H19N3O/c17-13-11(9-3-1-4-9)8-15-12(16-13)7-10-5-2-6-14-10/h8-10,14H,1-7H2,(H,15,16,17)
InChIKeyLFJADAXWECZUMT-UHFFFAOYSA-N
XLogP1.33
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(piperidin-2-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 84698905
5-propan-2-yl-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 78969916
5-ethyl-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 82237690
5-(2-methylphenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 61363930
5-(4-iodophenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
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5-(4-chlorophenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 61366673
2-cyclobutyl-5-(pyrrolidin-2-ylmethyl)-4H-1,2,4-triazol-3-one
CID 136999578
4-cycloheptyl-5-(pyrrolidin-2-ylmethyl)-1,2-oxazole
CID 115054022
5-(2-chlorophenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 61365687
2-[[5-(oxolan-3-yl)-1H-imidazol-2-yl]methyl]piperidine
CID 115041060
2-[(4-cyclopentyl-1H-pyrazol-5-yl)methyl]piperidine
CID 115039853
4-cyclopentyl-5-methyl-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 105493657

Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-cyclobutyl-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one (CID 84696945) is 5-cyclobutyl-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-cyclobutyl-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-cyclobutyl-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one is O=c1[nH]c(CC2CCCN2)ncc1C1CCC1.
What is the InChIKey of 5-cyclobutyl-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is LFJADAXWECZUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c17-13-11(9-3-1-4-9)8-15-12(16-13)7-10-5-2-6-14-10/h8-10,14H,1-7H2,(H,15,16,17).
What are the key properties of 5-cyclobutyl-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one?
5-cyclobutyl-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 233.31 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 84696945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).