2-(2-methylpropyl)pyrazolo[4,3-f]quinazoline-7,9-diamine

C13H16N6 — CID 44531936

IUPAC2-(2-methylpropyl)pyrazolo[4,3-f]quinazoline-7,9-diamine
SMILESCC(C)Cn1cc2c(ccc3nc(N)nc(N)c32)n1
InChIInChI=1S/C13H16N6/c1-7(2)5-19-6-8-9(18-19)3-4-10-11(8)12(14)17-13(15)16-10/h3-4,6-7H,5H2,1-2H3,(H4,14,15,16,17)
InChIKeySEUBJOAABJPVPY-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.80
Rot. Bonds2

About 2-(2-methylpropyl)pyrazolo[4,3-f]quinazoline-7,9-diamine

2-(2-methylpropyl)pyrazolo[4,3-f]quinazoline-7,9-diamine (PubChem CID 44531936) has the molecular formula C13H16N6 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-(2-methylpropyl)pyrazolo[4,3-f]quinazoline-7,9-diamine.

Molecular Properties

Compound Name2-(2-methylpropyl)pyrazolo[4,3-f]quinazoline-7,9-diamine
PubChem CID44531936
Molecular FormulaC13H16N6
Molecular Weight256.31 g/mol
Exact Mass256.14
IUPAC Name2-(2-methylpropyl)pyrazolo[4,3-f]quinazoline-7,9-diamine
SMILESCC(C)Cn1cc2c(ccc3nc(N)nc(N)c32)n1
InChIInChI=1S/C13H16N6/c1-7(2)5-19-6-8-9(18-19)3-4-10-11(8)12(14)17-13(15)16-10/h3-4,6-7H,5H2,1-2H3,(H4,14,15,16,17)
InChIKeySEUBJOAABJPVPY-UHFFFAOYSA-N
XLogP1.80
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)pyrazolo[4,3-f]quinazoline-7,9-diamine?
The IUPAC name of 2-(2-methylpropyl)pyrazolo[4,3-f]quinazoline-7,9-diamine (CID 44531936) is 2-(2-methylpropyl)pyrazolo[4,3-f]quinazoline-7,9-diamine.
What is the SMILES notation for 2-(2-methylpropyl)pyrazolo[4,3-f]quinazoline-7,9-diamine?
The canonical SMILES for 2-(2-methylpropyl)pyrazolo[4,3-f]quinazoline-7,9-diamine is CC(C)Cn1cc2c(ccc3nc(N)nc(N)c32)n1.
What is the InChIKey of 2-(2-methylpropyl)pyrazolo[4,3-f]quinazoline-7,9-diamine?
The InChIKey is SEUBJOAABJPVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6/c1-7(2)5-19-6-8-9(18-19)3-4-10-11(8)12(14)17-13(15)16-10/h3-4,6-7H,5H2,1-2H3,(H4,14,15,16,17).
What are the key properties of 2-(2-methylpropyl)pyrazolo[4,3-f]quinazoline-7,9-diamine?
2-(2-methylpropyl)pyrazolo[4,3-f]quinazoline-7,9-diamine has a molecular weight of 256.31 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)pyrazolo[4,3-f]quinazoline-7,9-diamine is sourced from PubChem (CID 44531936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).