4-cyclobutyl-6-(methylaminomethyl)-1H-pyrimidin-2-one

C10H15N3O — CID 83847326

IUPAC4-cyclobutyl-6-(methylaminomethyl)-1H-pyrimidin-2-one
SMILESCNCc1cc(C2CCC2)nc(=O)[nH]1
InChIInChI=1S/C10H15N3O/c1-11-6-8-5-9(7-3-2-4-7)13-10(14)12-8/h5,7,11H,2-4,6H2,1H3,(H,12,13,14)
InChIKeyZJMCFDFSMCHJQS-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.76
Rot. Bonds3

About 4-cyclobutyl-6-(methylaminomethyl)-1H-pyrimidin-2-one

4-cyclobutyl-6-(methylaminomethyl)-1H-pyrimidin-2-one (PubChem CID 83847326) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-cyclobutyl-6-(methylaminomethyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-cyclobutyl-6-(methylaminomethyl)-1H-pyrimidin-2-one
PubChem CID83847326
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name4-cyclobutyl-6-(methylaminomethyl)-1H-pyrimidin-2-one
SMILESCNCc1cc(C2CCC2)nc(=O)[nH]1
InChIInChI=1S/C10H15N3O/c1-11-6-8-5-9(7-3-2-4-7)13-10(14)12-8/h5,7,11H,2-4,6H2,1H3,(H,12,13,14)
InChIKeyZJMCFDFSMCHJQS-UHFFFAOYSA-N
XLogP0.76
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-6-(methylaminomethyl)-1H-pyrimidin-2-one?
The IUPAC name of 4-cyclobutyl-6-(methylaminomethyl)-1H-pyrimidin-2-one (CID 83847326) is 4-cyclobutyl-6-(methylaminomethyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 4-cyclobutyl-6-(methylaminomethyl)-1H-pyrimidin-2-one?
The canonical SMILES for 4-cyclobutyl-6-(methylaminomethyl)-1H-pyrimidin-2-one is CNCc1cc(C2CCC2)nc(=O)[nH]1.
What is the InChIKey of 4-cyclobutyl-6-(methylaminomethyl)-1H-pyrimidin-2-one?
The InChIKey is ZJMCFDFSMCHJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-11-6-8-5-9(7-3-2-4-7)13-10(14)12-8/h5,7,11H,2-4,6H2,1H3,(H,12,13,14).
What are the key properties of 4-cyclobutyl-6-(methylaminomethyl)-1H-pyrimidin-2-one?
4-cyclobutyl-6-(methylaminomethyl)-1H-pyrimidin-2-one has a molecular weight of 193.25 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-6-(methylaminomethyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 83847326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).