4-(3-ethyl-4-methylpiperazin-1-yl)quinazolin-7-amine

C15H21N5 — CID 65337182

IUPAC4-(3-ethyl-4-methylpiperazin-1-yl)quinazolin-7-amine
SMILESCCC1CN(c2ncnc3cc(N)ccc23)CCN1C
InChIInChI=1S/C15H21N5/c1-3-12-9-20(7-6-19(12)2)15-13-5-4-11(16)8-14(13)17-10-18-15/h4-5,8,10,12H,3,6-7,9,16H2,1-2H3
InChIKeyGBABAKXHJWBNJH-UHFFFAOYSA-N
MW271.37 g/mol
LogP1.74
Rot. Bonds2

About 4-(3-ethyl-4-methylpiperazin-1-yl)quinazolin-7-amine

4-(3-ethyl-4-methylpiperazin-1-yl)quinazolin-7-amine (PubChem CID 65337182) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 4-(3-ethyl-4-methylpiperazin-1-yl)quinazolin-7-amine.

Molecular Properties

Compound Name4-(3-ethyl-4-methylpiperazin-1-yl)quinazolin-7-amine
PubChem CID65337182
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name4-(3-ethyl-4-methylpiperazin-1-yl)quinazolin-7-amine
SMILESCCC1CN(c2ncnc3cc(N)ccc23)CCN1C
InChIInChI=1S/C15H21N5/c1-3-12-9-20(7-6-19(12)2)15-13-5-4-11(16)8-14(13)17-10-18-15/h4-5,8,10,12H,3,6-7,9,16H2,1-2H3
InChIKeyGBABAKXHJWBNJH-UHFFFAOYSA-N
XLogP1.74
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-4-methylpiperazin-1-yl)quinazolin-7-amine?
The IUPAC name of 4-(3-ethyl-4-methylpiperazin-1-yl)quinazolin-7-amine (CID 65337182) is 4-(3-ethyl-4-methylpiperazin-1-yl)quinazolin-7-amine.
What is the SMILES notation for 4-(3-ethyl-4-methylpiperazin-1-yl)quinazolin-7-amine?
The canonical SMILES for 4-(3-ethyl-4-methylpiperazin-1-yl)quinazolin-7-amine is CCC1CN(c2ncnc3cc(N)ccc23)CCN1C.
What is the InChIKey of 4-(3-ethyl-4-methylpiperazin-1-yl)quinazolin-7-amine?
The InChIKey is GBABAKXHJWBNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-3-12-9-20(7-6-19(12)2)15-13-5-4-11(16)8-14(13)17-10-18-15/h4-5,8,10,12H,3,6-7,9,16H2,1-2H3.
What are the key properties of 4-(3-ethyl-4-methylpiperazin-1-yl)quinazolin-7-amine?
4-(3-ethyl-4-methylpiperazin-1-yl)quinazolin-7-amine has a molecular weight of 271.37 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-4-methylpiperazin-1-yl)quinazolin-7-amine is sourced from PubChem (CID 65337182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).