2-(dimethylamino)-3-(2-methoxyethyl)-6-methylpyrimidin-4-one

C10H17N3O2 — CID 20745847

IUPAC2-(dimethylamino)-3-(2-methoxyethyl)-6-methylpyrimidin-4-one
SMILESCOCCn1c(N(C)C)nc(C)cc1=O
InChIInChI=1S/C10H17N3O2/c1-8-7-9(14)13(5-6-15-4)10(11-8)12(2)3/h7H,5-6H2,1-4H3
InChIKeyMGOKARLOSUNYPC-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.26
Rot. Bonds4

About 2-(dimethylamino)-3-(2-methoxyethyl)-6-methylpyrimidin-4-one

2-(dimethylamino)-3-(2-methoxyethyl)-6-methylpyrimidin-4-one (PubChem CID 20745847) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-(dimethylamino)-3-(2-methoxyethyl)-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name2-(dimethylamino)-3-(2-methoxyethyl)-6-methylpyrimidin-4-one
PubChem CID20745847
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-(dimethylamino)-3-(2-methoxyethyl)-6-methylpyrimidin-4-one
SMILESCOCCn1c(N(C)C)nc(C)cc1=O
InChIInChI=1S/C10H17N3O2/c1-8-7-9(14)13(5-6-15-4)10(11-8)12(2)3/h7H,5-6H2,1-4H3
InChIKeyMGOKARLOSUNYPC-UHFFFAOYSA-N
XLogP0.26
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-3-(2-methoxyethyl)-6-methylpyrimidin-4-one?
The IUPAC name of 2-(dimethylamino)-3-(2-methoxyethyl)-6-methylpyrimidin-4-one (CID 20745847) is 2-(dimethylamino)-3-(2-methoxyethyl)-6-methylpyrimidin-4-one.
What is the SMILES notation for 2-(dimethylamino)-3-(2-methoxyethyl)-6-methylpyrimidin-4-one?
The canonical SMILES for 2-(dimethylamino)-3-(2-methoxyethyl)-6-methylpyrimidin-4-one is COCCn1c(N(C)C)nc(C)cc1=O.
What is the InChIKey of 2-(dimethylamino)-3-(2-methoxyethyl)-6-methylpyrimidin-4-one?
The InChIKey is MGOKARLOSUNYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-8-7-9(14)13(5-6-15-4)10(11-8)12(2)3/h7H,5-6H2,1-4H3.
What are the key properties of 2-(dimethylamino)-3-(2-methoxyethyl)-6-methylpyrimidin-4-one?
2-(dimethylamino)-3-(2-methoxyethyl)-6-methylpyrimidin-4-one has a molecular weight of 211.26 g/mol, XLogP of 0.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-3-(2-methoxyethyl)-6-methylpyrimidin-4-one is sourced from PubChem (CID 20745847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).