4-N-(2-pyrazol-1-ylethyl)quinazoline-4,6-diamine

C13H14N6 — CID 64590087

IUPAC4-N-(2-pyrazol-1-ylethyl)quinazoline-4,6-diamine
SMILESNc1ccc2ncnc(NCCn3cccn3)c2c1
InChIInChI=1S/C13H14N6/c14-10-2-3-12-11(8-10)13(17-9-16-12)15-5-7-19-6-1-4-18-19/h1-4,6,8-9H,5,7,14H2,(H,15,16,17)
InChIKeyNRADMGYUCXEJLG-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.52
Rot. Bonds4

About 4-N-(2-pyrazol-1-ylethyl)quinazoline-4,6-diamine

4-N-(2-pyrazol-1-ylethyl)quinazoline-4,6-diamine (PubChem CID 64590087) has the molecular formula C13H14N6 and a molecular weight of 254.30 g/mol. Its IUPAC name is 4-N-(2-pyrazol-1-ylethyl)quinazoline-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-pyrazol-1-ylethyl)quinazoline-4,6-diamine
PubChem CID64590087
Molecular FormulaC13H14N6
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Name4-N-(2-pyrazol-1-ylethyl)quinazoline-4,6-diamine
SMILESNc1ccc2ncnc(NCCn3cccn3)c2c1
InChIInChI=1S/C13H14N6/c14-10-2-3-12-11(8-10)13(17-9-16-12)15-5-7-19-6-1-4-18-19/h1-4,6,8-9H,5,7,14H2,(H,15,16,17)
InChIKeyNRADMGYUCXEJLG-UHFFFAOYSA-N
XLogP1.52
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-N-(2-pyrazol-1-ylethyl)quinazoline-4,6-diamine?
The IUPAC name of 4-N-(2-pyrazol-1-ylethyl)quinazoline-4,6-diamine (CID 64590087) is 4-N-(2-pyrazol-1-ylethyl)quinazoline-4,6-diamine.
What is the SMILES notation for 4-N-(2-pyrazol-1-ylethyl)quinazoline-4,6-diamine?
The canonical SMILES for 4-N-(2-pyrazol-1-ylethyl)quinazoline-4,6-diamine is Nc1ccc2ncnc(NCCn3cccn3)c2c1.
What is the InChIKey of 4-N-(2-pyrazol-1-ylethyl)quinazoline-4,6-diamine?
The InChIKey is NRADMGYUCXEJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6/c14-10-2-3-12-11(8-10)13(17-9-16-12)15-5-7-19-6-1-4-18-19/h1-4,6,8-9H,5,7,14H2,(H,15,16,17).
What are the key properties of 4-N-(2-pyrazol-1-ylethyl)quinazoline-4,6-diamine?
4-N-(2-pyrazol-1-ylethyl)quinazoline-4,6-diamine has a molecular weight of 254.30 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-pyrazol-1-ylethyl)quinazoline-4,6-diamine is sourced from PubChem (CID 64590087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).