4-(2-propan-2-yloxyethoxy)-1H-pyrimidin-6-one

C9H14N2O3 — CID 103240710

IUPAC4-(2-propan-2-yloxyethoxy)-1H-pyrimidin-6-one
SMILESCC(C)OCCOc1cc(=O)[nH]cn1
InChIInChI=1S/C9H14N2O3/c1-7(2)13-3-4-14-9-5-8(12)10-6-11-9/h5-7H,3-4H2,1-2H3,(H,10,11,12)
InChIKeyYQNRVRHSNVHTMH-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.57
Rot. Bonds5

About 4-(2-propan-2-yloxyethoxy)-1H-pyrimidin-6-one

4-(2-propan-2-yloxyethoxy)-1H-pyrimidin-6-one (PubChem CID 103240710) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 4-(2-propan-2-yloxyethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-propan-2-yloxyethoxy)-1H-pyrimidin-6-one
PubChem CID103240710
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name4-(2-propan-2-yloxyethoxy)-1H-pyrimidin-6-one
SMILESCC(C)OCCOc1cc(=O)[nH]cn1
InChIInChI=1S/C9H14N2O3/c1-7(2)13-3-4-14-9-5-8(12)10-6-11-9/h5-7H,3-4H2,1-2H3,(H,10,11,12)
InChIKeyYQNRVRHSNVHTMH-UHFFFAOYSA-N
XLogP0.57
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-Methoxy-4-1H-pyrimidinone
CID 3770663
2-ethoxy-4-propan-2-yloxy-1H-pyrimidin-6-one
CID 23338950
6-ethoxypyrimidin-4(1H)-one
CID 45080261
4-(2-methylpropoxy)-1H-pyrimidin-6-one
CID 59665181
4-propoxy-1H-pyrimidin-6-one
CID 89293896
4-(3-methylbutoxy)-1H-pyrimidin-6-one
CID 103240613
4-cyclopropyloxy-1H-pyrimidin-6-one
CID 178112215
4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 102635254
4-(2-butoxyethoxy)-1H-pyrimidin-6-one
CID 103240436
4-[(2-methylpropan-2-yl)oxy]-1H-pyrimidin-6-one
CID 103240458
4-(2-methylbutan-2-yloxy)-1H-pyrimidin-6-one
CID 103240487
4-cyclopentyloxy-1H-pyrimidin-6-one
CID 103240528

Frequently Asked Questions

What is the IUPAC name of 4-(2-propan-2-yloxyethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-propan-2-yloxyethoxy)-1H-pyrimidin-6-one (CID 103240710) is 4-(2-propan-2-yloxyethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-propan-2-yloxyethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-propan-2-yloxyethoxy)-1H-pyrimidin-6-one is CC(C)OCCOc1cc(=O)[nH]cn1.
What is the InChIKey of 4-(2-propan-2-yloxyethoxy)-1H-pyrimidin-6-one?
The InChIKey is YQNRVRHSNVHTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-7(2)13-3-4-14-9-5-8(12)10-6-11-9/h5-7H,3-4H2,1-2H3,(H,10,11,12).
What are the key properties of 4-(2-propan-2-yloxyethoxy)-1H-pyrimidin-6-one?
4-(2-propan-2-yloxyethoxy)-1H-pyrimidin-6-one has a molecular weight of 198.22 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propan-2-yloxyethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103240710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).