4-[1-(methylamino)propan-2-yloxy]-2-propan-2-yl-1H-pyrimidin-6-one

C11H19N3O2 — CID 114586310

IUPAC4-[1-(methylamino)propan-2-yloxy]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCNCC(C)Oc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C11H19N3O2/c1-7(2)11-13-9(15)5-10(14-11)16-8(3)6-12-4/h5,7-8,12H,6H2,1-4H3,(H,13,14,15)
InChIKeyANHRSXUOUFARPH-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.88
Rot. Bonds5

About 4-[1-(methylamino)propan-2-yloxy]-2-propan-2-yl-1H-pyrimidin-6-one

4-[1-(methylamino)propan-2-yloxy]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 114586310) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-[1-(methylamino)propan-2-yloxy]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[1-(methylamino)propan-2-yloxy]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID114586310
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name4-[1-(methylamino)propan-2-yloxy]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCNCC(C)Oc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C11H19N3O2/c1-7(2)11-13-9(15)5-10(14-11)16-8(3)6-12-4/h5,7-8,12H,6H2,1-4H3,(H,13,14,15)
InChIKeyANHRSXUOUFARPH-UHFFFAOYSA-N
XLogP0.88
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-Isopropoxy-2-isopropylpyrimidin-4(1H)-one
CID 45117357
2-Isopropyl-6-propoxypyrimidin-4(1H)-one
CID 45117379
4-[2-(methylamino)cyclohexyl]oxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 102634235
4-[(6-methylmorpholin-2-yl)methoxy]-2-propan-2-yl-1H-pyrimidin-6-one
CID 102634872
2-ethyl-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 102635013
2-cyclopropyl-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 102635338
4-[2-[cyclopropyl(methyl)amino]ethoxy]-2-methyl-1H-pyrimidin-6-one
CID 102741496
2-cyclopropyl-4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one
CID 102741497
4-[2-[cyclopropyl(methyl)amino]ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one
CID 102741502
4-(4-methylpiperidin-3-yl)oxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 102954448
2-methyl-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
CID 102954539
2-cyclopropyl-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
CID 102954733

Frequently Asked Questions

What is the IUPAC name of 4-[1-(methylamino)propan-2-yloxy]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[1-(methylamino)propan-2-yloxy]-2-propan-2-yl-1H-pyrimidin-6-one (CID 114586310) is 4-[1-(methylamino)propan-2-yloxy]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[1-(methylamino)propan-2-yloxy]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[1-(methylamino)propan-2-yloxy]-2-propan-2-yl-1H-pyrimidin-6-one is CNCC(C)Oc1cc(=O)[nH]c(C(C)C)n1.
What is the InChIKey of 4-[1-(methylamino)propan-2-yloxy]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is ANHRSXUOUFARPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-7(2)11-13-9(15)5-10(14-11)16-8(3)6-12-4/h5,7-8,12H,6H2,1-4H3,(H,13,14,15).
What are the key properties of 4-[1-(methylamino)propan-2-yloxy]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[1-(methylamino)propan-2-yloxy]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 225.29 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(methylamino)propan-2-yloxy]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 114586310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).