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

C9H14N2O3 — CID 103240677

IUPAC5-methoxy-4-(2-methylpropoxy)-1H-pyrimidin-6-one
SMILESCOc1c(OCC(C)C)nc[nH]c1=O
InChIInChI=1S/C9H14N2O3/c1-6(2)4-14-9-7(13-3)8(12)10-5-11-9/h5-6H,4H2,1-3H3,(H,10,11,12)
InChIKeyZATOAGZUQBUOJY-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.81
Rot. Bonds4

About 5-methoxy-4-(2-methylpropoxy)-1H-pyrimidin-6-one

5-methoxy-4-(2-methylpropoxy)-1H-pyrimidin-6-one (PubChem CID 103240677) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 5-methoxy-4-(2-methylpropoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-(2-methylpropoxy)-1H-pyrimidin-6-one
PubChem CID103240677
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name5-methoxy-4-(2-methylpropoxy)-1H-pyrimidin-6-one
SMILESCOc1c(OCC(C)C)nc[nH]c1=O
InChIInChI=1S/C9H14N2O3/c1-6(2)4-14-9-7(13-3)8(12)10-5-11-9/h5-6H,4H2,1-3H3,(H,10,11,12)
InChIKeyZATOAGZUQBUOJY-UHFFFAOYSA-N
XLogP0.81
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-(2-methylpropoxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-(2-methylpropoxy)-1H-pyrimidin-6-one (CID 103240677) is 5-methoxy-4-(2-methylpropoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-(2-methylpropoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-(2-methylpropoxy)-1H-pyrimidin-6-one is COc1c(OCC(C)C)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-(2-methylpropoxy)-1H-pyrimidin-6-one?
The InChIKey is ZATOAGZUQBUOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-6(2)4-14-9-7(13-3)8(12)10-5-11-9/h5-6H,4H2,1-3H3,(H,10,11,12).
What are the key properties of 5-methoxy-4-(2-methylpropoxy)-1H-pyrimidin-6-one?
5-methoxy-4-(2-methylpropoxy)-1H-pyrimidin-6-one has a molecular weight of 198.22 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-(2-methylpropoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103240677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).