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

C7H11N3O2 — CID 175713427

IUPAC6-(2-methoxyethylamino)-1H-pyrimidin-2-one
SMILESCOCCNc1ccnc(=O)[nH]1
InChIInChI=1S/C7H11N3O2/c1-12-5-4-8-6-2-3-9-7(11)10-6/h2-3H,4-5H2,1H3,(H2,8,9,10,11)
InChIKeyVSLGMFPXWOQNFA-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.17
Rot. Bonds4

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

6-(2-methoxyethylamino)-1H-pyrimidin-2-one (PubChem CID 175713427) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 6-(2-methoxyethylamino)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(2-methoxyethylamino)-1H-pyrimidin-2-one
PubChem CID175713427
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name6-(2-methoxyethylamino)-1H-pyrimidin-2-one
SMILESCOCCNc1ccnc(=O)[nH]1
InChIInChI=1S/C7H11N3O2/c1-12-5-4-8-6-2-3-9-7(11)10-6/h2-3H,4-5H2,1H3,(H2,8,9,10,11)
InChIKeyVSLGMFPXWOQNFA-UHFFFAOYSA-N
XLogP-0.17
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.17
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 6-(2-methoxyethylamino)-1H-pyrimidin-2-one?
The IUPAC name of 6-(2-methoxyethylamino)-1H-pyrimidin-2-one (CID 175713427) is 6-(2-methoxyethylamino)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(2-methoxyethylamino)-1H-pyrimidin-2-one?
The canonical SMILES for 6-(2-methoxyethylamino)-1H-pyrimidin-2-one is COCCNc1ccnc(=O)[nH]1.
What is the InChIKey of 6-(2-methoxyethylamino)-1H-pyrimidin-2-one?
The InChIKey is VSLGMFPXWOQNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-12-5-4-8-6-2-3-9-7(11)10-6/h2-3H,4-5H2,1H3,(H2,8,9,10,11).
What are the key properties of 6-(2-methoxyethylamino)-1H-pyrimidin-2-one?
6-(2-methoxyethylamino)-1H-pyrimidin-2-one has a molecular weight of 169.18 g/mol, XLogP of -0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethylamino)-1H-pyrimidin-2-one is sourced from PubChem (CID 175713427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).