4-(1-ethoxypropan-2-yloxy)-2-propan-2-yl-1H-pyrimidin-6-one

C12H20N2O3 — CID 103491884

IUPAC4-(1-ethoxypropan-2-yloxy)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCCOCC(C)Oc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C12H20N2O3/c1-5-16-7-9(4)17-11-6-10(15)13-12(14-11)8(2)3/h6,8-9H,5,7H2,1-4H3,(H,13,14,15)
InChIKeyOQTBKVWJADZHAQ-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.70
Rot. Bonds6

About 4-(1-ethoxypropan-2-yloxy)-2-propan-2-yl-1H-pyrimidin-6-one

4-(1-ethoxypropan-2-yloxy)-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 103491884) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 4-(1-ethoxypropan-2-yloxy)-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(1-ethoxypropan-2-yloxy)-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID103491884
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name4-(1-ethoxypropan-2-yloxy)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCCOCC(C)Oc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C12H20N2O3/c1-5-16-7-9(4)17-11-6-10(15)13-12(14-11)8(2)3/h6,8-9H,5,7H2,1-4H3,(H,13,14,15)
InChIKeyOQTBKVWJADZHAQ-UHFFFAOYSA-N
XLogP1.70
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Ethyl-4-ethoxy-6-hydroxypyrimidine
CID 12940703
2-propan-2-yl-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one
CID 103240554
4-(2,2-difluoroethoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 103241909
2-propan-2-yl-4-(3,3,3-trifluoropropoxy)-1H-pyrimidin-6-one
CID 113792805
2-Cyclopropyl-6-ethoxypyrimidin-4(1H)-one
CID 12945284
2-tert-butyl-4-ethoxy-1H-pyrimidin-6-one
CID 14279697
4-Hydroxy-2-cyclopropyl-6-(tert-butoxy)pyrimidine
CID 20340377
6-Methoxy-2-(propan-2-yl)pyrimidin-4(3H)-one
CID 23338958
4-(1,4-dioxan-2-ylmethoxy)-2-methyl-1H-pyrimidin-6-one
CID 164856640
4-(2,2-dimethylpropoxy)-2-methyl-1H-pyrimidin-6-one
CID 166803033
2-cyclopropyl-4-propoxy-1H-pyrimidin-6-one
CID 12945288
4-Hydroxy-2-cyclopropyl-6-(iso-propoxy)pyrimidine
CID 12945289

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethoxypropan-2-yloxy)-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(1-ethoxypropan-2-yloxy)-2-propan-2-yl-1H-pyrimidin-6-one (CID 103491884) is 4-(1-ethoxypropan-2-yloxy)-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(1-ethoxypropan-2-yloxy)-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(1-ethoxypropan-2-yloxy)-2-propan-2-yl-1H-pyrimidin-6-one is CCOCC(C)Oc1cc(=O)[nH]c(C(C)C)n1.
What is the InChIKey of 4-(1-ethoxypropan-2-yloxy)-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is OQTBKVWJADZHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-5-16-7-9(4)17-11-6-10(15)13-12(14-11)8(2)3/h6,8-9H,5,7H2,1-4H3,(H,13,14,15).
What are the key properties of 4-(1-ethoxypropan-2-yloxy)-2-propan-2-yl-1H-pyrimidin-6-one?
4-(1-ethoxypropan-2-yloxy)-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 240.30 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethoxypropan-2-yloxy)-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 103491884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).