2-(4-methylpiperazin-1-yl)quinazolin-4-amine

C13H17N5 — CID 1403136

IUPAC2-(4-methylpiperazin-1-yl)quinazolin-4-amine
SMILESCN1CCN(c2nc(N)c3ccccc3n2)CC1
InChIInChI=1S/C13H17N5/c1-17-6-8-18(9-7-17)13-15-11-5-3-2-4-10(11)12(14)16-13/h2-5H,6-9H2,1H3,(H2,14,15,16)
InChIKeyKJVGBWURWKYDCH-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.96
Rot. Bonds1

About 2-(4-methylpiperazin-1-yl)quinazolin-4-amine

2-(4-methylpiperazin-1-yl)quinazolin-4-amine (PubChem CID 1403136) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)quinazolin-4-amine
PubChem CID1403136
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name2-(4-methylpiperazin-1-yl)quinazolin-4-amine
SMILESCN1CCN(c2nc(N)c3ccccc3n2)CC1
InChIInChI=1S/C13H17N5/c1-17-6-8-18(9-7-17)13-15-11-5-3-2-4-10(11)12(14)16-13/h2-5H,6-9H2,1H3,(H2,14,15,16)
InChIKeyKJVGBWURWKYDCH-UHFFFAOYSA-N
XLogP0.96
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)quinazolin-4-amine?
The IUPAC name of 2-(4-methylpiperazin-1-yl)quinazolin-4-amine (CID 1403136) is 2-(4-methylpiperazin-1-yl)quinazolin-4-amine.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)quinazolin-4-amine?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)quinazolin-4-amine is CN1CCN(c2nc(N)c3ccccc3n2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)quinazolin-4-amine?
The InChIKey is KJVGBWURWKYDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-17-6-8-18(9-7-17)13-15-11-5-3-2-4-10(11)12(14)16-13/h2-5H,6-9H2,1H3,(H2,14,15,16).
What are the key properties of 2-(4-methylpiperazin-1-yl)quinazolin-4-amine?
2-(4-methylpiperazin-1-yl)quinazolin-4-amine has a molecular weight of 243.31 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)quinazolin-4-amine is sourced from PubChem (CID 1403136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).