4-(3,4,5-trimethylpiperazin-1-yl)quinazolin-7-amine

C15H21N5 — CID 114543048

IUPAC4-(3,4,5-trimethylpiperazin-1-yl)quinazolin-7-amine
SMILESCC1CN(c2ncnc3cc(N)ccc23)CC(C)N1C
InChIInChI=1S/C15H21N5/c1-10-7-20(8-11(2)19(10)3)15-13-5-4-12(16)6-14(13)17-9-18-15/h4-6,9-11H,7-8,16H2,1-3H3
InChIKeyIJVZLWTYCQAWIM-UHFFFAOYSA-N
MW271.37 g/mol
LogP1.74
Rot. Bonds1

About 4-(3,4,5-trimethylpiperazin-1-yl)quinazolin-7-amine

4-(3,4,5-trimethylpiperazin-1-yl)quinazolin-7-amine (PubChem CID 114543048) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 4-(3,4,5-trimethylpiperazin-1-yl)quinazolin-7-amine.

Molecular Properties

Compound Name4-(3,4,5-trimethylpiperazin-1-yl)quinazolin-7-amine
PubChem CID114543048
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name4-(3,4,5-trimethylpiperazin-1-yl)quinazolin-7-amine
SMILESCC1CN(c2ncnc3cc(N)ccc23)CC(C)N1C
InChIInChI=1S/C15H21N5/c1-10-7-20(8-11(2)19(10)3)15-13-5-4-12(16)6-14(13)17-9-18-15/h4-6,9-11H,7-8,16H2,1-3H3
InChIKeyIJVZLWTYCQAWIM-UHFFFAOYSA-N
XLogP1.74
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
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-(3,4,5-trimethylpiperazin-1-yl)quinazolin-7-amine?
The IUPAC name of 4-(3,4,5-trimethylpiperazin-1-yl)quinazolin-7-amine (CID 114543048) is 4-(3,4,5-trimethylpiperazin-1-yl)quinazolin-7-amine.
What is the SMILES notation for 4-(3,4,5-trimethylpiperazin-1-yl)quinazolin-7-amine?
The canonical SMILES for 4-(3,4,5-trimethylpiperazin-1-yl)quinazolin-7-amine is CC1CN(c2ncnc3cc(N)ccc23)CC(C)N1C.
What is the InChIKey of 4-(3,4,5-trimethylpiperazin-1-yl)quinazolin-7-amine?
The InChIKey is IJVZLWTYCQAWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-10-7-20(8-11(2)19(10)3)15-13-5-4-12(16)6-14(13)17-9-18-15/h4-6,9-11H,7-8,16H2,1-3H3.
What are the key properties of 4-(3,4,5-trimethylpiperazin-1-yl)quinazolin-7-amine?
4-(3,4,5-trimethylpiperazin-1-yl)quinazolin-7-amine has a molecular weight of 271.37 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4,5-trimethylpiperazin-1-yl)quinazolin-7-amine is sourced from PubChem (CID 114543048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).