4-(2-methylpropoxy)-1H-pyrimidin-6-one

C8H12N2O2 — CID 59665181

IUPAC4-(2-methylpropoxy)-1H-pyrimidin-6-one
SMILESCC(C)COc1cc(=O)[nH]cn1
InChIInChI=1S/C8H12N2O2/c1-6(2)4-12-8-3-7(11)9-5-10-8/h3,5-6H,4H2,1-2H3,(H,9,10,11)
InChIKeyVBAHDTPEKQFBMN-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.80
Rot. Bonds3

About 4-(2-methylpropoxy)-1H-pyrimidin-6-one

4-(2-methylpropoxy)-1H-pyrimidin-6-one (PubChem CID 59665181) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 4-(2-methylpropoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-methylpropoxy)-1H-pyrimidin-6-one
PubChem CID59665181
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name4-(2-methylpropoxy)-1H-pyrimidin-6-one
SMILESCC(C)COc1cc(=O)[nH]cn1
InChIInChI=1S/C8H12N2O2/c1-6(2)4-12-8-3-7(11)9-5-10-8/h3,5-6H,4H2,1-2H3,(H,9,10,11)
InChIKeyVBAHDTPEKQFBMN-UHFFFAOYSA-N
XLogP0.80
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropoxy)-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-methylpropoxy)-1H-pyrimidin-6-one (CID 59665181) is 4-(2-methylpropoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-methylpropoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-methylpropoxy)-1H-pyrimidin-6-one is CC(C)COc1cc(=O)[nH]cn1.
What is the InChIKey of 4-(2-methylpropoxy)-1H-pyrimidin-6-one?
The InChIKey is VBAHDTPEKQFBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-6(2)4-12-8-3-7(11)9-5-10-8/h3,5-6H,4H2,1-2H3,(H,9,10,11).
What are the key properties of 4-(2-methylpropoxy)-1H-pyrimidin-6-one?
4-(2-methylpropoxy)-1H-pyrimidin-6-one has a molecular weight of 168.20 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 59665181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).