2-(cyclobutylmethyl)-1H-pyrimidin-6-one

C9H12N2O — CID 67513421

IUPAC2-(cyclobutylmethyl)-1H-pyrimidin-6-one
SMILESO=c1ccnc(CC2CCC2)[nH]1
InChIInChI=1S/C9H12N2O/c12-9-4-5-10-8(11-9)6-7-2-1-3-7/h4-5,7H,1-3,6H2,(H,10,11,12)
InChIKeyWHSHYGXLVHFSND-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.11
Rot. Bonds2

About 2-(cyclobutylmethyl)-1H-pyrimidin-6-one

2-(cyclobutylmethyl)-1H-pyrimidin-6-one (PubChem CID 67513421) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 2-(cyclobutylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(cyclobutylmethyl)-1H-pyrimidin-6-one
PubChem CID67513421
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name2-(cyclobutylmethyl)-1H-pyrimidin-6-one
SMILESO=c1ccnc(CC2CCC2)[nH]1
InChIInChI=1S/C9H12N2O/c12-9-4-5-10-8(11-9)6-7-2-1-3-7/h4-5,7H,1-3,6H2,(H,10,11,12)
InChIKeyWHSHYGXLVHFSND-UHFFFAOYSA-N
XLogP1.11
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(cyclobutylmethyl)-1H-pyrimidin-6-one (CID 67513421) is 2-(cyclobutylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(cyclobutylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(cyclobutylmethyl)-1H-pyrimidin-6-one is O=c1ccnc(CC2CCC2)[nH]1.
What is the InChIKey of 2-(cyclobutylmethyl)-1H-pyrimidin-6-one?
The InChIKey is WHSHYGXLVHFSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c12-9-4-5-10-8(11-9)6-7-2-1-3-7/h4-5,7H,1-3,6H2,(H,10,11,12).
What are the key properties of 2-(cyclobutylmethyl)-1H-pyrimidin-6-one?
2-(cyclobutylmethyl)-1H-pyrimidin-6-one has a molecular weight of 164.21 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 67513421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).