2-[2-(2-methoxyethoxy)ethyl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine

C14H23N3O2 — CID 102928850

IUPAC2-[2-(2-methoxyethoxy)ethyl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCNc1nc(CCOCCOC)nc2c1CCCC2
InChIInChI=1S/C14H23N3O2/c1-15-14-11-5-3-4-6-12(11)16-13(17-14)7-8-19-10-9-18-2/h3-10H2,1-2H3,(H,15,16,17)
InChIKeyLWIBZGLWSUGOGK-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.60
Rot. Bonds7

About 2-[2-(2-methoxyethoxy)ethyl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine

2-[2-(2-methoxyethoxy)ethyl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 102928850) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethyl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethyl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID102928850
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-[2-(2-methoxyethoxy)ethyl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCNc1nc(CCOCCOC)nc2c1CCCC2
InChIInChI=1S/C14H23N3O2/c1-15-14-11-5-3-4-6-12(11)16-13(17-14)7-8-19-10-9-18-2/h3-10H2,1-2H3,(H,15,16,17)
InChIKeyLWIBZGLWSUGOGK-UHFFFAOYSA-N
XLogP1.60
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.60
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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Related Compounds

2-[2-(2-methoxyethoxy)ethyl]-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 102928852
4-chloro-2-[2-(2-methoxyethoxy)ethyl]-5,6,7,8-tetrahydroquinazoline
CID 102927204
2-(2-methoxyethyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62191471
N-methyl-2-(propoxymethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63351302
4-chloro-2-(2-methoxyethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 63350986
6-ethyl-2-[2-(2-methoxyethoxy)ethyl]-N,5-dimethylpyrimidin-4-amine
CID 102928875
5-bromo-6-cyclopentyl-2-[2-(2-methoxyethoxy)ethyl]-N-methylpyrimidin-4-amine
CID 102928957
N-methyl-2-(pyridin-4-ylmethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63351344
N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62190766
2-[2-(2,2-difluoroethoxy)ethyl]-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 103150283
N-methyl-2-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63486165
2-(2-ethoxyethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 106815258

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethyl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethyl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine (CID 102928850) is 2-[2-(2-methoxyethoxy)ethyl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethyl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethyl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine is CNc1nc(CCOCCOC)nc2c1CCCC2.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethyl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is LWIBZGLWSUGOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-15-14-11-5-3-4-6-12(11)16-13(17-14)7-8-19-10-9-18-2/h3-10H2,1-2H3,(H,15,16,17).
What are the key properties of 2-[2-(2-methoxyethoxy)ethyl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
2-[2-(2-methoxyethoxy)ethyl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 265.36 g/mol, XLogP of 1.60, 7 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-methyl-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 102928850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).