4-N-(1-methylpyrazol-4-yl)quinazoline-2,4-diamine

C12H12N6 — CID 80849841

IUPAC4-N-(1-methylpyrazol-4-yl)quinazoline-2,4-diamine
SMILESCn1cc(Nc2nc(N)nc3ccccc23)cn1
InChIInChI=1S/C12H12N6/c1-18-7-8(6-14-18)15-11-9-4-2-3-5-10(9)16-12(13)17-11/h2-7H,1H3,(H3,13,15,16,17)
InChIKeyRHVROUCUQULARY-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.69
Rot. Bonds2

About 4-N-(1-methylpyrazol-4-yl)quinazoline-2,4-diamine

4-N-(1-methylpyrazol-4-yl)quinazoline-2,4-diamine (PubChem CID 80849841) has the molecular formula C12H12N6 and a molecular weight of 240.27 g/mol. Its IUPAC name is 4-N-(1-methylpyrazol-4-yl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-(1-methylpyrazol-4-yl)quinazoline-2,4-diamine
PubChem CID80849841
Molecular FormulaC12H12N6
Molecular Weight240.27 g/mol
Exact Mass240.11
IUPAC Name4-N-(1-methylpyrazol-4-yl)quinazoline-2,4-diamine
SMILESCn1cc(Nc2nc(N)nc3ccccc23)cn1
InChIInChI=1S/C12H12N6/c1-18-7-8(6-14-18)15-11-9-4-2-3-5-10(9)16-12(13)17-11/h2-7H,1H3,(H3,13,15,16,17)
InChIKeyRHVROUCUQULARY-UHFFFAOYSA-N
XLogP1.69
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-(1-methylpyrazol-4-yl)quinazoline-2,4-diamine?
The IUPAC name of 4-N-(1-methylpyrazol-4-yl)quinazoline-2,4-diamine (CID 80849841) is 4-N-(1-methylpyrazol-4-yl)quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-(1-methylpyrazol-4-yl)quinazoline-2,4-diamine?
The canonical SMILES for 4-N-(1-methylpyrazol-4-yl)quinazoline-2,4-diamine is Cn1cc(Nc2nc(N)nc3ccccc23)cn1.
What is the InChIKey of 4-N-(1-methylpyrazol-4-yl)quinazoline-2,4-diamine?
The InChIKey is RHVROUCUQULARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6/c1-18-7-8(6-14-18)15-11-9-4-2-3-5-10(9)16-12(13)17-11/h2-7H,1H3,(H3,13,15,16,17).
What are the key properties of 4-N-(1-methylpyrazol-4-yl)quinazoline-2,4-diamine?
4-N-(1-methylpyrazol-4-yl)quinazoline-2,4-diamine has a molecular weight of 240.27 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-methylpyrazol-4-yl)quinazoline-2,4-diamine is sourced from PubChem (CID 80849841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).