1-(2,2-dimethylpropyl)pyrimidin-2-one

C9H14N2O — CID 169320230

IUPAC1-(2,2-dimethylpropyl)pyrimidin-2-one
SMILESCC(C)(C)Cn1cccnc1=O
InChIInChI=1S/C9H14N2O/c1-9(2,3)7-11-6-4-5-10-8(11)12/h4-6H,7H2,1-3H3
InChIKeyIRAUUTXYUKWWDL-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.29
Rot. Bonds1

About 1-(2,2-dimethylpropyl)pyrimidin-2-one

1-(2,2-dimethylpropyl)pyrimidin-2-one (PubChem CID 169320230) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)pyrimidin-2-one.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)pyrimidin-2-one
PubChem CID169320230
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name1-(2,2-dimethylpropyl)pyrimidin-2-one
SMILESCC(C)(C)Cn1cccnc1=O
InChIInChI=1S/C9H14N2O/c1-9(2,3)7-11-6-4-5-10-8(11)12/h4-6H,7H2,1-3H3
InChIKeyIRAUUTXYUKWWDL-UHFFFAOYSA-N
XLogP1.29
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)pyrimidin-2-one?
The IUPAC name of 1-(2,2-dimethylpropyl)pyrimidin-2-one (CID 169320230) is 1-(2,2-dimethylpropyl)pyrimidin-2-one.
What is the SMILES notation for 1-(2,2-dimethylpropyl)pyrimidin-2-one?
The canonical SMILES for 1-(2,2-dimethylpropyl)pyrimidin-2-one is CC(C)(C)Cn1cccnc1=O.
What is the InChIKey of 1-(2,2-dimethylpropyl)pyrimidin-2-one?
The InChIKey is IRAUUTXYUKWWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-9(2,3)7-11-6-4-5-10-8(11)12/h4-6H,7H2,1-3H3.
What are the key properties of 1-(2,2-dimethylpropyl)pyrimidin-2-one?
1-(2,2-dimethylpropyl)pyrimidin-2-one has a molecular weight of 166.22 g/mol, XLogP of 1.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)pyrimidin-2-one is sourced from PubChem (CID 169320230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).