4-N-(2-ethoxyethyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine

C12H20N4O — CID 15896205

IUPAC4-N-(2-ethoxyethyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine
SMILESCCOCCNc1nc(N)nc2c1CCCC2
InChIInChI=1S/C12H20N4O/c1-2-17-8-7-14-11-9-5-3-4-6-10(9)15-12(13)16-11/h2-8H2,1H3,(H3,13,14,15,16)
InChIKeyGRELAOXZRDTXLF-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.39
Rot. Bonds5

About 4-N-(2-ethoxyethyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine

4-N-(2-ethoxyethyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine (PubChem CID 15896205) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-N-(2-ethoxyethyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-ethoxyethyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine
PubChem CID15896205
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-N-(2-ethoxyethyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine
SMILESCCOCCNc1nc(N)nc2c1CCCC2
InChIInChI=1S/C12H20N4O/c1-2-17-8-7-14-11-9-5-3-4-6-10(9)15-12(13)16-11/h2-8H2,1H3,(H3,13,14,15,16)
InChIKeyGRELAOXZRDTXLF-UHFFFAOYSA-N
XLogP1.39
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.39
H-Bond Donors ≤ 52
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 4-N-(2-ethoxyethyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine?
The IUPAC name of 4-N-(2-ethoxyethyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine (CID 15896205) is 4-N-(2-ethoxyethyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine.
What is the SMILES notation for 4-N-(2-ethoxyethyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine?
The canonical SMILES for 4-N-(2-ethoxyethyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine is CCOCCNc1nc(N)nc2c1CCCC2.
What is the InChIKey of 4-N-(2-ethoxyethyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine?
The InChIKey is GRELAOXZRDTXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-2-17-8-7-14-11-9-5-3-4-6-10(9)15-12(13)16-11/h2-8H2,1H3,(H3,13,14,15,16).
What are the key properties of 4-N-(2-ethoxyethyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine?
4-N-(2-ethoxyethyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine has a molecular weight of 236.32 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethoxyethyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine is sourced from PubChem (CID 15896205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).