N-ethyl-6-(methyliminomethyl)-1,2,4a,5-tetrahydroquinazolin-4-amine

C12H18N4 — CID 137315152

IUPACN-ethyl-6-(methyliminomethyl)-1,2,4a,5-tetrahydroquinazolin-4-amine
SMILESCCNC1=NCNC2=CC=C(/C=N/C)CC21
InChIInChI=1S/C12H18N4/c1-3-14-12-10-6-9(7-13-2)4-5-11(10)15-8-16-12/h4-5,7,10,15H,3,6,8H2,1-2H3,(H,14,16)/b13-7+
InChIKeyUIRINOUHCVNOCR-NTUHNPAUSA-N
MW218.30 g/mol
LogP1.09
Rot. Bonds2

About N-ethyl-6-(methyliminomethyl)-1,2,4a,5-tetrahydroquinazolin-4-amine

N-ethyl-6-(methyliminomethyl)-1,2,4a,5-tetrahydroquinazolin-4-amine (PubChem CID 137315152) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is N-ethyl-6-(methyliminomethyl)-1,2,4a,5-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(methyliminomethyl)-1,2,4a,5-tetrahydroquinazolin-4-amine
PubChem CID137315152
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC NameN-ethyl-6-(methyliminomethyl)-1,2,4a,5-tetrahydroquinazolin-4-amine
SMILESCCNC1=NCNC2=CC=C(/C=N/C)CC21
InChIInChI=1S/C12H18N4/c1-3-14-12-10-6-9(7-13-2)4-5-11(10)15-8-16-12/h4-5,7,10,15H,3,6,8H2,1-2H3,(H,14,16)/b13-7+
InChIKeyUIRINOUHCVNOCR-NTUHNPAUSA-N
XLogP1.09
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(methyliminomethyl)-1,2,4a,5-tetrahydroquinazolin-4-amine?
The IUPAC name of N-ethyl-6-(methyliminomethyl)-1,2,4a,5-tetrahydroquinazolin-4-amine (CID 137315152) is N-ethyl-6-(methyliminomethyl)-1,2,4a,5-tetrahydroquinazolin-4-amine.
What is the SMILES notation for N-ethyl-6-(methyliminomethyl)-1,2,4a,5-tetrahydroquinazolin-4-amine?
The canonical SMILES for N-ethyl-6-(methyliminomethyl)-1,2,4a,5-tetrahydroquinazolin-4-amine is CCNC1=NCNC2=CC=C(/C=N/C)CC21.
What is the InChIKey of N-ethyl-6-(methyliminomethyl)-1,2,4a,5-tetrahydroquinazolin-4-amine?
The InChIKey is UIRINOUHCVNOCR-NTUHNPAUSA-N. The full InChI is InChI=1S/C12H18N4/c1-3-14-12-10-6-9(7-13-2)4-5-11(10)15-8-16-12/h4-5,7,10,15H,3,6,8H2,1-2H3,(H,14,16)/b13-7+.
What are the key properties of N-ethyl-6-(methyliminomethyl)-1,2,4a,5-tetrahydroquinazolin-4-amine?
N-ethyl-6-(methyliminomethyl)-1,2,4a,5-tetrahydroquinazolin-4-amine has a molecular weight of 218.30 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(methyliminomethyl)-1,2,4a,5-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 137315152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).