4-[2-(dimethylamino)-2-methylpropoxy]-2-methyl-1H-pyrimidin-6-one

C11H19N3O2 — CID 103241799

IUPAC4-[2-(dimethylamino)-2-methylpropoxy]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(OCC(C)(C)N(C)C)cc(=O)[nH]1
InChIInChI=1S/C11H19N3O2/c1-8-12-9(15)6-10(13-8)16-7-11(2,3)14(4)5/h6H,7H2,1-5H3,(H,12,13,15)
InChIKeyNOCYCFOQGIUBNR-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.80
Rot. Bonds4

About 4-[2-(dimethylamino)-2-methylpropoxy]-2-methyl-1H-pyrimidin-6-one

4-[2-(dimethylamino)-2-methylpropoxy]-2-methyl-1H-pyrimidin-6-one (PubChem CID 103241799) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-[2-(dimethylamino)-2-methylpropoxy]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(dimethylamino)-2-methylpropoxy]-2-methyl-1H-pyrimidin-6-one
PubChem CID103241799
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name4-[2-(dimethylamino)-2-methylpropoxy]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(OCC(C)(C)N(C)C)cc(=O)[nH]1
InChIInChI=1S/C11H19N3O2/c1-8-12-9(15)6-10(13-8)16-7-11(2,3)14(4)5/h6H,7H2,1-5H3,(H,12,13,15)
InChIKeyNOCYCFOQGIUBNR-UHFFFAOYSA-N
XLogP0.80
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)-2-methylpropoxy]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(dimethylamino)-2-methylpropoxy]-2-methyl-1H-pyrimidin-6-one (CID 103241799) is 4-[2-(dimethylamino)-2-methylpropoxy]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(dimethylamino)-2-methylpropoxy]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(dimethylamino)-2-methylpropoxy]-2-methyl-1H-pyrimidin-6-one is Cc1nc(OCC(C)(C)N(C)C)cc(=O)[nH]1.
What is the InChIKey of 4-[2-(dimethylamino)-2-methylpropoxy]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is NOCYCFOQGIUBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-8-12-9(15)6-10(13-8)16-7-11(2,3)14(4)5/h6H,7H2,1-5H3,(H,12,13,15).
What are the key properties of 4-[2-(dimethylamino)-2-methylpropoxy]-2-methyl-1H-pyrimidin-6-one?
4-[2-(dimethylamino)-2-methylpropoxy]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 225.29 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)-2-methylpropoxy]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 103241799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).