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

C15H23F2N3O — CID 103150233

IUPAC2-[2-(2,2-difluoroethoxy)ethyl]-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESCCCNC1CCCc2nc(CCOCC(F)F)ncc21
InChIInChI=1S/C15H23F2N3O/c1-2-7-18-12-4-3-5-13-11(12)9-19-15(20-13)6-8-21-10-14(16)17/h9,12,14,18H,2-8,10H2,1H3
InChIKeySOOJRSJNDWVGBB-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.68
Rot. Bonds8

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

2-[2-(2,2-difluoroethoxy)ethyl]-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine (PubChem CID 103150233) has the molecular formula C15H23F2N3O and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[2-(2,2-difluoroethoxy)ethyl]-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine.

Molecular Properties

Compound Name2-[2-(2,2-difluoroethoxy)ethyl]-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine
PubChem CID103150233
Molecular FormulaC15H23F2N3O
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name2-[2-(2,2-difluoroethoxy)ethyl]-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESCCCNC1CCCc2nc(CCOCC(F)F)ncc21
InChIInChI=1S/C15H23F2N3O/c1-2-7-18-12-4-3-5-13-11(12)9-19-15(20-13)6-8-21-10-14(16)17/h9,12,14,18H,2-8,10H2,1H3
InChIKeySOOJRSJNDWVGBB-UHFFFAOYSA-N
XLogP2.68
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-ethoxyethyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 106815190
2-[2-(2-methoxyethoxy)ethyl]-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 102928805
2-(methoxymethyl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385466
N-ethyl-2-[2-(2-methoxyethoxy)ethyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385263
2-(1-ethoxybutyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 116728342
N-propyl-2-pyrimidin-2-yl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62009879
N-propyl-2-(1H-1,2,4-triazol-5-yl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62009694
2-(1-methylsulfonylethyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 116633138
2-(oxolan-2-ylmethyl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385419
N-ethyl-2-(methoxymethyl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62007510
2-(3-methylcyclopentyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 65414221
2-[2-(2,2-difluoroethoxy)ethyl]-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 103150283

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2-difluoroethoxy)ethyl]-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine?
The IUPAC name of 2-[2-(2,2-difluoroethoxy)ethyl]-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine (CID 103150233) is 2-[2-(2,2-difluoroethoxy)ethyl]-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine.
What is the SMILES notation for 2-[2-(2,2-difluoroethoxy)ethyl]-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine?
The canonical SMILES for 2-[2-(2,2-difluoroethoxy)ethyl]-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine is CCCNC1CCCc2nc(CCOCC(F)F)ncc21.
What is the InChIKey of 2-[2-(2,2-difluoroethoxy)ethyl]-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine?
The InChIKey is SOOJRSJNDWVGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N3O/c1-2-7-18-12-4-3-5-13-11(12)9-19-15(20-13)6-8-21-10-14(16)17/h9,12,14,18H,2-8,10H2,1H3.
What are the key properties of 2-[2-(2,2-difluoroethoxy)ethyl]-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine?
2-[2-(2,2-difluoroethoxy)ethyl]-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine has a molecular weight of 299.37 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2-difluoroethoxy)ethyl]-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine is sourced from PubChem (CID 103150233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).