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

C18H15FN6 — CID 170946131

IUPAC2-N-(2-fluorophenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine
SMILESCc1cc(Nc2nc(Nc3ccccc3F)nc3ccccc23)n[nH]1
InChIInChI=1S/C18H15FN6/c1-11-10-16(25-24-11)22-17-12-6-2-4-8-14(12)20-18(23-17)21-15-9-5-3-7-13(15)19/h2-10H,1H3,(H3,20,21,22,23,24,25)
InChIKeyHXOUWKHFLUHTIN-UHFFFAOYSA-N
MW334.36 g/mol
LogP4.29
Rot. Bonds4

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

2-N-(2-fluorophenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine (PubChem CID 170946131) has the molecular formula C18H15FN6 and a molecular weight of 334.36 g/mol. Its IUPAC name is 2-N-(2-fluorophenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-fluorophenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine
PubChem CID170946131
Molecular FormulaC18H15FN6
Molecular Weight334.36 g/mol
Exact Mass334.13
IUPAC Name2-N-(2-fluorophenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine
SMILESCc1cc(Nc2nc(Nc3ccccc3F)nc3ccccc23)n[nH]1
InChIInChI=1S/C18H15FN6/c1-11-10-16(25-24-11)22-17-12-6-2-4-8-14(12)20-18(23-17)21-15-9-5-3-7-13(15)19/h2-10H,1H3,(H3,20,21,22,23,24,25)
InChIKeyHXOUWKHFLUHTIN-UHFFFAOYSA-N
XLogP4.29
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.36
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-fluorophenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine?
The IUPAC name of 2-N-(2-fluorophenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine (CID 170946131) is 2-N-(2-fluorophenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-(2-fluorophenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine?
The canonical SMILES for 2-N-(2-fluorophenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine is Cc1cc(Nc2nc(Nc3ccccc3F)nc3ccccc23)n[nH]1.
What is the InChIKey of 2-N-(2-fluorophenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine?
The InChIKey is HXOUWKHFLUHTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN6/c1-11-10-16(25-24-11)22-17-12-6-2-4-8-14(12)20-18(23-17)21-15-9-5-3-7-13(15)19/h2-10H,1H3,(H3,20,21,22,23,24,25).
What are the key properties of 2-N-(2-fluorophenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine?
2-N-(2-fluorophenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine has a molecular weight of 334.36 g/mol, XLogP of 4.29, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-fluorophenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine is sourced from PubChem (CID 170946131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).