[2-[2-(2,2-difluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine

C13H19F2N3O — CID 103150832

IUPAC[2-[2-(2,2-difluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
SMILESNCC1CCc2nc(CCOCC(F)F)ncc2C1
InChIInChI=1S/C13H19F2N3O/c14-12(15)8-19-4-3-13-17-7-10-5-9(6-16)1-2-11(10)18-13/h7,9,12H,1-6,8,16H2
InChIKeyBVWKQFXOWLTQAL-UHFFFAOYSA-N
MW271.31 g/mol
LogP1.36
Rot. Bonds6

About [2-[2-(2,2-difluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine

[2-[2-(2,2-difluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine (PubChem CID 103150832) has the molecular formula C13H19F2N3O and a molecular weight of 271.31 g/mol. Its IUPAC name is [2-[2-(2,2-difluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine.

Molecular Properties

Compound Name[2-[2-(2,2-difluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
PubChem CID103150832
Molecular FormulaC13H19F2N3O
Molecular Weight271.31 g/mol
Exact Mass271.15
IUPAC Name[2-[2-(2,2-difluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
SMILESNCC1CCc2nc(CCOCC(F)F)ncc2C1
InChIInChI=1S/C13H19F2N3O/c14-12(15)8-19-4-3-13-17-7-10-5-9(6-16)1-2-11(10)18-13/h7,9,12H,1-6,8,16H2
InChIKeyBVWKQFXOWLTQAL-UHFFFAOYSA-N
XLogP1.36
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 51.36
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

N-[[2-[2-(2,2-difluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine
CID 103150835
(2-ethyl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine
CID 81423082
2-[2-(2,2-difluoroethoxy)ethyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 103151407
[2-[(3,5-difluorophenyl)methyl]-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 81424927
[2-(oxolan-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 113362286
[2-(cyclohexylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 81425035
N-[[2-(2-methoxyethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]cyclopropanamine
CID 81425997
2-[2-(2,2-difluoroethoxy)ethyl]-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 103150233
[2-(2-methoxyphenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 81424704
[2-(6-methoxypyridazin-3-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 103375226
N-methyl-1-(2-propyl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine
CID 81425266
(2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine
CID 81425975

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2,2-difluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
The IUPAC name of [2-[2-(2,2-difluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine (CID 103150832) is [2-[2-(2,2-difluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine.
What is the SMILES notation for [2-[2-(2,2-difluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
The canonical SMILES for [2-[2-(2,2-difluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine is NCC1CCc2nc(CCOCC(F)F)ncc2C1.
What is the InChIKey of [2-[2-(2,2-difluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
The InChIKey is BVWKQFXOWLTQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N3O/c14-12(15)8-19-4-3-13-17-7-10-5-9(6-16)1-2-11(10)18-13/h7,9,12H,1-6,8,16H2.
What are the key properties of [2-[2-(2,2-difluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
[2-[2-(2,2-difluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine has a molecular weight of 271.31 g/mol, XLogP of 1.36, 6 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]-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine is sourced from PubChem (CID 103150832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).