4-[1-(cyclobutanecarbonyl)pyrrolidin-2-yl]-2-methyl-1H-pyrimidin-6-one

C14H19N3O2 — CID 136804059

IUPAC4-[1-(cyclobutanecarbonyl)pyrrolidin-2-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(C2CCCN2C(=O)C2CCC2)cc(=O)[nH]1
InChIInChI=1S/C14H19N3O2/c1-9-15-11(8-13(18)16-9)12-6-3-7-17(12)14(19)10-4-2-5-10/h8,10,12H,2-7H2,1H3,(H,15,16,18)
InChIKeyKWQQUYFOGFSKMR-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.54
Rot. Bonds2

About 4-[1-(cyclobutanecarbonyl)pyrrolidin-2-yl]-2-methyl-1H-pyrimidin-6-one

4-[1-(cyclobutanecarbonyl)pyrrolidin-2-yl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136804059) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-[1-(cyclobutanecarbonyl)pyrrolidin-2-yl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[1-(cyclobutanecarbonyl)pyrrolidin-2-yl]-2-methyl-1H-pyrimidin-6-one
PubChem CID136804059
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4-[1-(cyclobutanecarbonyl)pyrrolidin-2-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(C2CCCN2C(=O)C2CCC2)cc(=O)[nH]1
InChIInChI=1S/C14H19N3O2/c1-9-15-11(8-13(18)16-9)12-6-3-7-17(12)14(19)10-4-2-5-10/h8,10,12H,2-7H2,1H3,(H,15,16,18)
InChIKeyKWQQUYFOGFSKMR-UHFFFAOYSA-N
XLogP1.54
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(cyclobutanecarbonyl)pyrrolidin-2-yl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[1-(cyclobutanecarbonyl)pyrrolidin-2-yl]-2-methyl-1H-pyrimidin-6-one (CID 136804059) is 4-[1-(cyclobutanecarbonyl)pyrrolidin-2-yl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[1-(cyclobutanecarbonyl)pyrrolidin-2-yl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[1-(cyclobutanecarbonyl)pyrrolidin-2-yl]-2-methyl-1H-pyrimidin-6-one is Cc1nc(C2CCCN2C(=O)C2CCC2)cc(=O)[nH]1.
What is the InChIKey of 4-[1-(cyclobutanecarbonyl)pyrrolidin-2-yl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is KWQQUYFOGFSKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9-15-11(8-13(18)16-9)12-6-3-7-17(12)14(19)10-4-2-5-10/h8,10,12H,2-7H2,1H3,(H,15,16,18).
What are the key properties of 4-[1-(cyclobutanecarbonyl)pyrrolidin-2-yl]-2-methyl-1H-pyrimidin-6-one?
4-[1-(cyclobutanecarbonyl)pyrrolidin-2-yl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 261.32 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(cyclobutanecarbonyl)pyrrolidin-2-yl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136804059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).