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

C11H19N3O3 — CID 103241798

IUPAC4-[2-(dimethylamino)-2-methylpropoxy]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(OCC(C)(C)N(C)C)nc[nH]c1=O
InChIInChI=1S/C11H19N3O3/c1-11(2,14(3)4)6-17-10-8(16-5)9(15)12-7-13-10/h7H,6H2,1-5H3,(H,12,13,15)
InChIKeyZWVRPEQBFRRTIE-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.50
Rot. Bonds5

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

4-[2-(dimethylamino)-2-methylpropoxy]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 103241798) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-[2-(dimethylamino)-2-methylpropoxy]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(dimethylamino)-2-methylpropoxy]-5-methoxy-1H-pyrimidin-6-one
PubChem CID103241798
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name4-[2-(dimethylamino)-2-methylpropoxy]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(OCC(C)(C)N(C)C)nc[nH]c1=O
InChIInChI=1S/C11H19N3O3/c1-11(2,14(3)4)6-17-10-8(16-5)9(15)12-7-13-10/h7H,6H2,1-5H3,(H,12,13,15)
InChIKeyZWVRPEQBFRRTIE-UHFFFAOYSA-N
XLogP0.50
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)-2-methylpropoxy]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(dimethylamino)-2-methylpropoxy]-5-methoxy-1H-pyrimidin-6-one (CID 103241798) is 4-[2-(dimethylamino)-2-methylpropoxy]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(dimethylamino)-2-methylpropoxy]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(dimethylamino)-2-methylpropoxy]-5-methoxy-1H-pyrimidin-6-one is COc1c(OCC(C)(C)N(C)C)nc[nH]c1=O.
What is the InChIKey of 4-[2-(dimethylamino)-2-methylpropoxy]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is ZWVRPEQBFRRTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-11(2,14(3)4)6-17-10-8(16-5)9(15)12-7-13-10/h7H,6H2,1-5H3,(H,12,13,15).
What are the key properties of 4-[2-(dimethylamino)-2-methylpropoxy]-5-methoxy-1H-pyrimidin-6-one?
4-[2-(dimethylamino)-2-methylpropoxy]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 241.29 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)-2-methylpropoxy]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 103241798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).