2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine

C17H18N6 — CID 4907991

IUPAC2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine
SMILESNc1nc(N2CCN(c3ccccn3)CC2)nc2ccccc12
InChIInChI=1S/C17H18N6/c18-16-13-5-1-2-6-14(13)20-17(21-16)23-11-9-22(10-12-23)15-7-3-4-8-19-15/h1-8H,9-12H2,(H2,18,20,21)
InChIKeyYBDJTGPYUZXNJE-UHFFFAOYSA-N
MW306.37 g/mol
LogP1.93
Rot. Bonds2

About 2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine

2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine (PubChem CID 4907991) has the molecular formula C17H18N6 and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine
PubChem CID4907991
Molecular FormulaC17H18N6
Molecular Weight306.37 g/mol
Exact Mass306.16
IUPAC Name2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine
SMILESNc1nc(N2CCN(c3ccccn3)CC2)nc2ccccc12
InChIInChI=1S/C17H18N6/c18-16-13-5-1-2-6-14(13)20-17(21-16)23-11-9-22(10-12-23)15-7-3-4-8-19-15/h1-8H,9-12H2,(H2,18,20,21)
InChIKeyYBDJTGPYUZXNJE-UHFFFAOYSA-N
XLogP1.93
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-phenylpiperazin-1-yl)quinazolin-4-amine;hydrochloride
CID 52995741
2-thiomorpholin-4-ylquinazolin-4-amine
CID 123991658
2-[4-(4-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]quinazolin-4-amine
CID 136531944
2-[4-(2-fluorophenyl)piperazin-1-yl]quinazolin-4-amine;hydrochloride
CID 52995833
2-(4-pyridin-2-ylpiperazin-1-yl)-7H-purin-6-amine
CID 117079664
4-N,5-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,6-diamine
CID 22329454
2-chloro-4-(4-pyridin-2-ylpiperazin-1-yl)quinazoline
CID 22692821
methanamine;1-methyl-4-pyridin-2-ylpiperazine
CID 145148686
(3R,5S)-1-[4-[(3R,5S)-3,5-diaminopiperidin-1-yl]-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]piperidine-3,5-diamine
CID 58949154
1-[4-(3,5-diaminopiperidin-1-yl)-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]piperidine-3,5-diamine
CID 21103668
2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-benzoxazole
CID 24805905
1-fluoro-4-pyridin-2-ylpiperazine
CID 143401045

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine?
The IUPAC name of 2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine (CID 4907991) is 2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine.
What is the SMILES notation for 2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine?
The canonical SMILES for 2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine is Nc1nc(N2CCN(c3ccccn3)CC2)nc2ccccc12.
What is the InChIKey of 2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine?
The InChIKey is YBDJTGPYUZXNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6/c18-16-13-5-1-2-6-14(13)20-17(21-16)23-11-9-22(10-12-23)15-7-3-4-8-19-15/h1-8H,9-12H2,(H2,18,20,21).
What are the key properties of 2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine?
2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine has a molecular weight of 306.37 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine is sourced from PubChem (CID 4907991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).