2-N-(5-methyl-1H-pyrazol-3-yl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine

C15H14N8 — CID 20604329

IUPAC2-N-(5-methyl-1H-pyrazol-3-yl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
SMILESCc1cc(Nc2nc(Nc3ccn[nH]3)c3ccccc3n2)n[nH]1
InChIInChI=1S/C15H14N8/c1-9-8-13(23-21-9)19-15-17-11-5-3-2-4-10(11)14(20-15)18-12-6-7-16-22-12/h2-8H,1H3,(H4,16,17,18,19,20,21,22,23)
InChIKeyWPCIOXADOICBHC-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.87
Rot. Bonds4

About 2-N-(5-methyl-1H-pyrazol-3-yl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine

2-N-(5-methyl-1H-pyrazol-3-yl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine (PubChem CID 20604329) has the molecular formula C15H14N8 and a molecular weight of 306.33 g/mol. Its IUPAC name is 2-N-(5-methyl-1H-pyrazol-3-yl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-(5-methyl-1H-pyrazol-3-yl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
PubChem CID20604329
Molecular FormulaC15H14N8
Molecular Weight306.33 g/mol
Exact Mass306.13
IUPAC Name2-N-(5-methyl-1H-pyrazol-3-yl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
SMILESCc1cc(Nc2nc(Nc3ccn[nH]3)c3ccccc3n2)n[nH]1
InChIInChI=1S/C15H14N8/c1-9-8-13(23-21-9)19-15-17-11-5-3-2-4-10(11)14(20-15)18-12-6-7-16-22-12/h2-8H,1H3,(H4,16,17,18,19,20,21,22,23)
InChIKeyWPCIOXADOICBHC-UHFFFAOYSA-N
XLogP2.87
TPSA107.20 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(5-methyl-1H-pyrazol-3-yl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine?
The IUPAC name of 2-N-(5-methyl-1H-pyrazol-3-yl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine (CID 20604329) is 2-N-(5-methyl-1H-pyrazol-3-yl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-(5-methyl-1H-pyrazol-3-yl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine?
The canonical SMILES for 2-N-(5-methyl-1H-pyrazol-3-yl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine is Cc1cc(Nc2nc(Nc3ccn[nH]3)c3ccccc3n2)n[nH]1.
What is the InChIKey of 2-N-(5-methyl-1H-pyrazol-3-yl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine?
The InChIKey is WPCIOXADOICBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N8/c1-9-8-13(23-21-9)19-15-17-11-5-3-2-4-10(11)14(20-15)18-12-6-7-16-22-12/h2-8H,1H3,(H4,16,17,18,19,20,21,22,23).
What are the key properties of 2-N-(5-methyl-1H-pyrazol-3-yl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine?
2-N-(5-methyl-1H-pyrazol-3-yl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine has a molecular weight of 306.33 g/mol, XLogP of 2.87, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-methyl-1H-pyrazol-3-yl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine is sourced from PubChem (CID 20604329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).