4-(2-methoxyethoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

C10H15N3O2 — CID 81222865

IUPAC4-(2-methoxyethoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCOCCOc1ncnc2c1CNCC2
InChIInChI=1S/C10H15N3O2/c1-14-4-5-15-10-8-6-11-3-2-9(8)12-7-13-10/h7,11H,2-6H2,1H3
InChIKeyYAESHWBXPHCGHY-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.15
Rot. Bonds4

About 4-(2-methoxyethoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

4-(2-methoxyethoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 81222865) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID81222865
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name4-(2-methoxyethoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCOCCOc1ncnc2c1CNCC2
InChIInChI=1S/C10H15N3O2/c1-14-4-5-15-10-8-6-11-3-2-9(8)12-7-13-10/h7,11H,2-6H2,1H3
InChIKeyYAESHWBXPHCGHY-UHFFFAOYSA-N
XLogP0.15
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.15
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 4-(2-methoxyethoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 4-(2-methoxyethoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 81222865) is 4-(2-methoxyethoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-(2-methoxyethoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-(2-methoxyethoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is COCCOc1ncnc2c1CNCC2.
What is the InChIKey of 4-(2-methoxyethoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is YAESHWBXPHCGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-14-4-5-15-10-8-6-11-3-2-9(8)12-7-13-10/h7,11H,2-6H2,1H3.
What are the key properties of 4-(2-methoxyethoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
4-(2-methoxyethoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 209.25 g/mol, XLogP of 0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 81222865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).