2-[[2-(aminomethyl)quinazolin-4-yl]amino]acetaldehyde;ethane;methoxymethane

C17H30N4O2 — CID 143396949

IUPAC2-[[2-(aminomethyl)quinazolin-4-yl]amino]acetaldehyde;ethane;methoxymethane
SMILESCC.CC.COC.NCc1nc(NCC=O)c2ccccc2n1
InChIInChI=1S/C11H12N4O.C2H6O.2C2H6/c12-7-10-14-9-4-2-1-3-8(9)11(15-10)13-5-6-16;1-3-2;2*1-2/h1-4,6H,5,7,12H2,(H,13,14,15);1-2H3;2*1-2H3
InChIKeyRYIFHRURVAEYQF-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.01
Rot. Bonds4

About 2-[[2-(aminomethyl)quinazolin-4-yl]amino]acetaldehyde;ethane;methoxymethane

2-[[2-(aminomethyl)quinazolin-4-yl]amino]acetaldehyde;ethane;methoxymethane (PubChem CID 143396949) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)quinazolin-4-yl]amino]acetaldehyde;ethane;methoxymethane.

Molecular Properties

Compound Name2-[[2-(aminomethyl)quinazolin-4-yl]amino]acetaldehyde;ethane;methoxymethane
PubChem CID143396949
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Name2-[[2-(aminomethyl)quinazolin-4-yl]amino]acetaldehyde;ethane;methoxymethane
SMILESCC.CC.COC.NCc1nc(NCC=O)c2ccccc2n1
InChIInChI=1S/C11H12N4O.C2H6O.2C2H6/c12-7-10-14-9-4-2-1-3-8(9)11(15-10)13-5-6-16;1-3-2;2*1-2/h1-4,6H,5,7,12H2,(H,13,14,15);1-2H3;2*1-2H3
InChIKeyRYIFHRURVAEYQF-UHFFFAOYSA-N
XLogP3.01
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(aminomethyl)quinazolin-4-yl]amino]acetaldehyde;ethane;methoxymethane?
The IUPAC name of 2-[[2-(aminomethyl)quinazolin-4-yl]amino]acetaldehyde;ethane;methoxymethane (CID 143396949) is 2-[[2-(aminomethyl)quinazolin-4-yl]amino]acetaldehyde;ethane;methoxymethane.
What is the SMILES notation for 2-[[2-(aminomethyl)quinazolin-4-yl]amino]acetaldehyde;ethane;methoxymethane?
The canonical SMILES for 2-[[2-(aminomethyl)quinazolin-4-yl]amino]acetaldehyde;ethane;methoxymethane is CC.CC.COC.NCc1nc(NCC=O)c2ccccc2n1.
What is the InChIKey of 2-[[2-(aminomethyl)quinazolin-4-yl]amino]acetaldehyde;ethane;methoxymethane?
The InChIKey is RYIFHRURVAEYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O.C2H6O.2C2H6/c12-7-10-14-9-4-2-1-3-8(9)11(15-10)13-5-6-16;1-3-2;2*1-2/h1-4,6H,5,7,12H2,(H,13,14,15);1-2H3;2*1-2H3.
What are the key properties of 2-[[2-(aminomethyl)quinazolin-4-yl]amino]acetaldehyde;ethane;methoxymethane?
2-[[2-(aminomethyl)quinazolin-4-yl]amino]acetaldehyde;ethane;methoxymethane has a molecular weight of 322.45 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(aminomethyl)quinazolin-4-yl]amino]acetaldehyde;ethane;methoxymethane is sourced from PubChem (CID 143396949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).