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

C7H11N3O2 — CID 136955889

IUPAC4-(2-methoxyethylamino)-1H-pyrimidin-6-one
SMILESCOCCNc1cc(=O)[nH]cn1
InChIInChI=1S/C7H11N3O2/c1-12-3-2-8-6-4-7(11)10-5-9-6/h4-5H,2-3H2,1H3,(H2,8,9,10,11)
InChIKeyGPGJXDCNJHPVQP-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.17
Rot. Bonds4

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

4-(2-methoxyethylamino)-1H-pyrimidin-6-one (PubChem CID 136955889) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 4-(2-methoxyethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-methoxyethylamino)-1H-pyrimidin-6-one
PubChem CID136955889
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name4-(2-methoxyethylamino)-1H-pyrimidin-6-one
SMILESCOCCNc1cc(=O)[nH]cn1
InChIInChI=1S/C7H11N3O2/c1-12-3-2-8-6-4-7(11)10-5-9-6/h4-5H,2-3H2,1H3,(H2,8,9,10,11)
InChIKeyGPGJXDCNJHPVQP-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 4-(2-methoxyethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-methoxyethylamino)-1H-pyrimidin-6-one (CID 136955889) is 4-(2-methoxyethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-methoxyethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-methoxyethylamino)-1H-pyrimidin-6-one is COCCNc1cc(=O)[nH]cn1.
What is the InChIKey of 4-(2-methoxyethylamino)-1H-pyrimidin-6-one?
The InChIKey is GPGJXDCNJHPVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-12-3-2-8-6-4-7(11)10-5-9-6/h4-5H,2-3H2,1H3,(H2,8,9,10,11).
What are the key properties of 4-(2-methoxyethylamino)-1H-pyrimidin-6-one?
4-(2-methoxyethylamino)-1H-pyrimidin-6-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 4-(2-methoxyethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136955889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).