5-propan-2-yloxy-1H-pyrimidin-2-one

C7H10N2O2 — CID 117231345

IUPAC5-propan-2-yloxy-1H-pyrimidin-2-one
SMILESCC(C)Oc1cnc(=O)[nH]c1
InChIInChI=1S/C7H10N2O2/c1-5(2)11-6-3-8-7(10)9-4-6/h3-5H,1-2H3,(H,8,9,10)
InChIKeyQYIHWDGTUXLBJE-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.56
Rot. Bonds2

About 5-propan-2-yloxy-1H-pyrimidin-2-one

5-propan-2-yloxy-1H-pyrimidin-2-one (PubChem CID 117231345) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 5-propan-2-yloxy-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-propan-2-yloxy-1H-pyrimidin-2-one
PubChem CID117231345
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name5-propan-2-yloxy-1H-pyrimidin-2-one
SMILESCC(C)Oc1cnc(=O)[nH]c1
InChIInChI=1S/C7H10N2O2/c1-5(2)11-6-3-8-7(10)9-4-6/h3-5H,1-2H3,(H,8,9,10)
InChIKeyQYIHWDGTUXLBJE-UHFFFAOYSA-N
XLogP0.56
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yloxy-1H-pyrimidin-2-one?
The IUPAC name of 5-propan-2-yloxy-1H-pyrimidin-2-one (CID 117231345) is 5-propan-2-yloxy-1H-pyrimidin-2-one.
What is the SMILES notation for 5-propan-2-yloxy-1H-pyrimidin-2-one?
The canonical SMILES for 5-propan-2-yloxy-1H-pyrimidin-2-one is CC(C)Oc1cnc(=O)[nH]c1.
What is the InChIKey of 5-propan-2-yloxy-1H-pyrimidin-2-one?
The InChIKey is QYIHWDGTUXLBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-5(2)11-6-3-8-7(10)9-4-6/h3-5H,1-2H3,(H,8,9,10).
What are the key properties of 5-propan-2-yloxy-1H-pyrimidin-2-one?
5-propan-2-yloxy-1H-pyrimidin-2-one has a molecular weight of 154.17 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yloxy-1H-pyrimidin-2-one is sourced from PubChem (CID 117231345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).