2-[2-(2-methoxyethoxy)ethyl]-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine

C16H27N3O2 — CID 102928805

IUPAC2-[2-(2-methoxyethoxy)ethyl]-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESCCCNC1CCCc2nc(CCOCCOC)ncc21
InChIInChI=1S/C16H27N3O2/c1-3-8-17-14-5-4-6-15-13(14)12-18-16(19-15)7-9-21-11-10-20-2/h12,14,17H,3-11H2,1-2H3
InChIKeySSYUYRWDSRHRCA-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.06
Rot. Bonds9

About 2-[2-(2-methoxyethoxy)ethyl]-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine

2-[2-(2-methoxyethoxy)ethyl]-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine (PubChem CID 102928805) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethyl]-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethyl]-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine
PubChem CID102928805
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name2-[2-(2-methoxyethoxy)ethyl]-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESCCCNC1CCCc2nc(CCOCCOC)ncc21
InChIInChI=1S/C16H27N3O2/c1-3-8-17-14-5-4-6-15-13(14)12-18-16(19-15)7-9-21-11-10-20-2/h12,14,17H,3-11H2,1-2H3
InChIKeySSYUYRWDSRHRCA-UHFFFAOYSA-N
XLogP2.06
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.06
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 2-[2-(2-methoxyethoxy)ethyl]-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethyl]-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine (CID 102928805) is 2-[2-(2-methoxyethoxy)ethyl]-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethyl]-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethyl]-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine is CCCNC1CCCc2nc(CCOCCOC)ncc21.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethyl]-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine?
The InChIKey is SSYUYRWDSRHRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-3-8-17-14-5-4-6-15-13(14)12-18-16(19-15)7-9-21-11-10-20-2/h12,14,17H,3-11H2,1-2H3.
What are the key properties of 2-[2-(2-methoxyethoxy)ethyl]-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine?
2-[2-(2-methoxyethoxy)ethyl]-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine has a molecular weight of 293.41 g/mol, XLogP of 2.06, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethyl]-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine is sourced from PubChem (CID 102928805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).