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

C16H27N3O2 — CID 102928852

IUPAC2-[2-(2-methoxyethoxy)ethyl]-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCCCNc1nc(CCOCCOC)nc2c1CCCC2
InChIInChI=1S/C16H27N3O2/c1-3-9-17-16-13-6-4-5-7-14(13)18-15(19-16)8-10-21-12-11-20-2/h3-12H2,1-2H3,(H,17,18,19)
InChIKeyFNOSCJFBRHSBJG-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.38
Rot. Bonds9

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

2-[2-(2-methoxyethoxy)ethyl]-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 102928852) 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-4-amine.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethyl]-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID102928852
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name2-[2-(2-methoxyethoxy)ethyl]-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCCCNc1nc(CCOCCOC)nc2c1CCCC2
InChIInChI=1S/C16H27N3O2/c1-3-9-17-16-13-6-4-5-7-14(13)18-15(19-16)8-10-21-12-11-20-2/h3-12H2,1-2H3,(H,17,18,19)
InChIKeyFNOSCJFBRHSBJG-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
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-methoxyethyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62191471
2-[2-(2-methoxyethoxy)ethyl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 102928850
2-[2-(2,2-difluoroethoxy)ethyl]-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 103150283
4-chloro-2-[2-(2-methoxyethoxy)ethyl]-5,6,7,8-tetrahydroquinazoline
CID 102927204
2-[2-(diethylamino)ethyl]-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62191757
N-ethyl-2-(propoxymethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 55201490
2-[(4-methylphenyl)methyl]-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 63485746
2-N,2-N-dimethyl-4-N-propyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine
CID 62191134
2-chloro-N-(2-methoxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 82460684
2-(1-methoxyethyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 79617455
2-(1-methoxybutyl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 116729133
4-chloro-2-(2-methoxyethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 63350986

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethyl]-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethyl]-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine (CID 102928852) is 2-[2-(2-methoxyethoxy)ethyl]-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethyl]-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethyl]-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine is CCCNc1nc(CCOCCOC)nc2c1CCCC2.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethyl]-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is FNOSCJFBRHSBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-3-9-17-16-13-6-4-5-7-14(13)18-15(19-16)8-10-21-12-11-20-2/h3-12H2,1-2H3,(H,17,18,19).
What are the key properties of 2-[2-(2-methoxyethoxy)ethyl]-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine?
2-[2-(2-methoxyethoxy)ethyl]-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 293.41 g/mol, XLogP of 2.38, 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-4-amine is sourced from PubChem (CID 102928852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).