2-(2-methoxyethylamino)-4-methyl-1H-pyrimidin-6-one

C8H13N3O2 — CID 136697706

IUPAC2-(2-methoxyethylamino)-4-methyl-1H-pyrimidin-6-one
SMILESCOCCNc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C8H13N3O2/c1-6-5-7(12)11-8(10-6)9-3-4-13-2/h5H,3-4H2,1-2H3,(H2,9,10,11,12)
InChIKeyYRGSITFQNKNWBV-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.14
Rot. Bonds4

About 2-(2-methoxyethylamino)-4-methyl-1H-pyrimidin-6-one

2-(2-methoxyethylamino)-4-methyl-1H-pyrimidin-6-one (PubChem CID 136697706) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-4-methyl-1H-pyrimidin-6-one
PubChem CID136697706
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2-(2-methoxyethylamino)-4-methyl-1H-pyrimidin-6-one
SMILESCOCCNc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C8H13N3O2/c1-6-5-7(12)11-8(10-6)9-3-4-13-2/h5H,3-4H2,1-2H3,(H2,9,10,11,12)
InChIKeyYRGSITFQNKNWBV-UHFFFAOYSA-N
XLogP0.14
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-(2-methoxyethylamino)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-methoxyethylamino)-4-methyl-1H-pyrimidin-6-one (CID 136697706) is 2-(2-methoxyethylamino)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-methoxyethylamino)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-methoxyethylamino)-4-methyl-1H-pyrimidin-6-one is COCCNc1nc(C)cc(=O)[nH]1.
What is the InChIKey of 2-(2-methoxyethylamino)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is YRGSITFQNKNWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-6-5-7(12)11-8(10-6)9-3-4-13-2/h5H,3-4H2,1-2H3,(H2,9,10,11,12).
What are the key properties of 2-(2-methoxyethylamino)-4-methyl-1H-pyrimidin-6-one?
2-(2-methoxyethylamino)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 183.21 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136697706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).