6-piperazin-1-ylquinazolin-4-amine

C12H15N5 — CID 175939020

IUPAC6-piperazin-1-ylquinazolin-4-amine
SMILESNc1ncnc2ccc(N3CCNCC3)cc12
InChIInChI=1S/C12H15N5/c13-12-10-7-9(17-5-3-14-4-6-17)1-2-11(10)15-8-16-12/h1-2,7-8,14H,3-6H2,(H2,13,15,16)
InChIKeyUYPSJEMVEHSQNM-UHFFFAOYSA-N
MW229.29 g/mol
LogP0.62
Rot. Bonds1

About 6-piperazin-1-ylquinazolin-4-amine

6-piperazin-1-ylquinazolin-4-amine (PubChem CID 175939020) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 6-piperazin-1-ylquinazolin-4-amine.

Molecular Properties

Compound Name6-piperazin-1-ylquinazolin-4-amine
PubChem CID175939020
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name6-piperazin-1-ylquinazolin-4-amine
SMILESNc1ncnc2ccc(N3CCNCC3)cc12
InChIInChI=1S/C12H15N5/c13-12-10-7-9(17-5-3-14-4-6-17)1-2-11(10)15-8-16-12/h1-2,7-8,14H,3-6H2,(H2,13,15,16)
InChIKeyUYPSJEMVEHSQNM-UHFFFAOYSA-N
XLogP0.62
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-pyrrolidin-1-ylquinazolin-4-amine
CID 20718876
6-(4-methylpiperazin-1-yl)-4-piperidin-4-ylquinazoline
CID 59551712
N-(3-chloro-2-fluorophenyl)-6-piperazin-1-ylquinazolin-4-amine
CID 166540128
N-(3,4-dichloro-2-fluorophenyl)-6-piperazin-1-ylquinazolin-4-amine
CID 166539801
2-methyl-6-piperazin-1-ylquinoxaline
CID 117275288
7-piperazin-1-yl-4-[(7-piperazin-1-ylquinolin-4-yl)disulfanyl]quinoline
CID 139772933
dichloroosmium;bis(1-[2-(4-piperazin-1-yl-2-pyridinyl)-4-pyridinyl]piperazine)
CID 144800267
4-[4-(4-amino-3-methylphenyl)-1,4,7-triazonan-1-yl]-2-methylaniline
CID 23103839
7-(3-piperazin-1-ylpropoxy)quinazolin-4-amine
CID 141103822
6-(1,4-diazepan-1-yl)quinoline
CID 62635992
6-tert-butylquinazolin-4-amine
CID 58008725
4-(4-piperazin-1-ylphenyl)pyridin-2-amine
CID 147694887

Frequently Asked Questions

What is the IUPAC name of 6-piperazin-1-ylquinazolin-4-amine?
The IUPAC name of 6-piperazin-1-ylquinazolin-4-amine (CID 175939020) is 6-piperazin-1-ylquinazolin-4-amine.
What is the SMILES notation for 6-piperazin-1-ylquinazolin-4-amine?
The canonical SMILES for 6-piperazin-1-ylquinazolin-4-amine is Nc1ncnc2ccc(N3CCNCC3)cc12.
What is the InChIKey of 6-piperazin-1-ylquinazolin-4-amine?
The InChIKey is UYPSJEMVEHSQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c13-12-10-7-9(17-5-3-14-4-6-17)1-2-11(10)15-8-16-12/h1-2,7-8,14H,3-6H2,(H2,13,15,16).
What are the key properties of 6-piperazin-1-ylquinazolin-4-amine?
6-piperazin-1-ylquinazolin-4-amine has a molecular weight of 229.29 g/mol, XLogP of 0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperazin-1-ylquinazolin-4-amine is sourced from PubChem (CID 175939020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).