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

C18H16N6 — CID 10267834

IUPAC4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine
SMILESCc1cc(Nc2nc(Nc3ccccc3)nc3ccccc23)n[nH]1
InChIInChI=1S/C18H16N6/c1-12-11-16(24-23-12)21-17-14-9-5-6-10-15(14)20-18(22-17)19-13-7-3-2-4-8-13/h2-11H,1H3,(H3,19,20,21,22,23,24)
InChIKeyMAIYDNZVOBREIJ-UHFFFAOYSA-N
MW316.37 g/mol
LogP4.15
Rot. Bonds4

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

4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine (PubChem CID 10267834) has the molecular formula C18H16N6 and a molecular weight of 316.37 g/mol. Its IUPAC name is 4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine
PubChem CID10267834
Molecular FormulaC18H16N6
Molecular Weight316.37 g/mol
Exact Mass316.14
IUPAC Name4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine
SMILESCc1cc(Nc2nc(Nc3ccccc3)nc3ccccc23)n[nH]1
InChIInChI=1S/C18H16N6/c1-12-11-16(24-23-12)21-17-14-9-5-6-10-15(14)20-18(22-17)19-13-7-3-2-4-8-13/h2-11H,1H3,(H3,19,20,21,22,23,24)
InChIKeyMAIYDNZVOBREIJ-UHFFFAOYSA-N
XLogP4.15
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine?
The IUPAC name of 4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine (CID 10267834) is 4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine.
What is the SMILES notation for 4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine?
The canonical SMILES for 4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine is Cc1cc(Nc2nc(Nc3ccccc3)nc3ccccc23)n[nH]1.
What is the InChIKey of 4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine?
The InChIKey is MAIYDNZVOBREIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6/c1-12-11-16(24-23-12)21-17-14-9-5-6-10-15(14)20-18(22-17)19-13-7-3-2-4-8-13/h2-11H,1H3,(H3,19,20,21,22,23,24).
What are the key properties of 4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine?
4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine has a molecular weight of 316.37 g/mol, XLogP of 4.15, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine is sourced from PubChem (CID 10267834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).