3-[2-(2-methoxyethylamino)ethyl]-6-methylpyrimidin-4-one

C10H17N3O2 — CID 62564623

IUPAC3-[2-(2-methoxyethylamino)ethyl]-6-methylpyrimidin-4-one
SMILESCOCCNCCn1cnc(C)cc1=O
InChIInChI=1S/C10H17N3O2/c1-9-7-10(14)13(8-12-9)5-3-11-4-6-15-2/h7-8,11H,3-6H2,1-2H3
InChIKeyRZJVLSATNKVMER-UHFFFAOYSA-N
MW211.26 g/mol
LogP-0.21
Rot. Bonds6

About 3-[2-(2-methoxyethylamino)ethyl]-6-methylpyrimidin-4-one

3-[2-(2-methoxyethylamino)ethyl]-6-methylpyrimidin-4-one (PubChem CID 62564623) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-[2-(2-methoxyethylamino)ethyl]-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(2-methoxyethylamino)ethyl]-6-methylpyrimidin-4-one
PubChem CID62564623
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name3-[2-(2-methoxyethylamino)ethyl]-6-methylpyrimidin-4-one
SMILESCOCCNCCn1cnc(C)cc1=O
InChIInChI=1S/C10H17N3O2/c1-9-7-10(14)13(8-12-9)5-3-11-4-6-15-2/h7-8,11H,3-6H2,1-2H3
InChIKeyRZJVLSATNKVMER-UHFFFAOYSA-N
XLogP-0.21
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyethylamino)ethyl]-6-methylpyrimidin-4-one?
The IUPAC name of 3-[2-(2-methoxyethylamino)ethyl]-6-methylpyrimidin-4-one (CID 62564623) is 3-[2-(2-methoxyethylamino)ethyl]-6-methylpyrimidin-4-one.
What is the SMILES notation for 3-[2-(2-methoxyethylamino)ethyl]-6-methylpyrimidin-4-one?
The canonical SMILES for 3-[2-(2-methoxyethylamino)ethyl]-6-methylpyrimidin-4-one is COCCNCCn1cnc(C)cc1=O.
What is the InChIKey of 3-[2-(2-methoxyethylamino)ethyl]-6-methylpyrimidin-4-one?
The InChIKey is RZJVLSATNKVMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-9-7-10(14)13(8-12-9)5-3-11-4-6-15-2/h7-8,11H,3-6H2,1-2H3.
What are the key properties of 3-[2-(2-methoxyethylamino)ethyl]-6-methylpyrimidin-4-one?
3-[2-(2-methoxyethylamino)ethyl]-6-methylpyrimidin-4-one has a molecular weight of 211.26 g/mol, XLogP of -0.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyethylamino)ethyl]-6-methylpyrimidin-4-one is sourced from PubChem (CID 62564623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).