5-fluoro-2-N-(2-phenylethyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine

C19H17FN6 — CID 164628478

IUPAC5-fluoro-2-N-(2-phenylethyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
SMILESFc1cccc2nc(NCCc3ccccc3)nc(Nc3ccn[nH]3)c12
InChIInChI=1S/C19H17FN6/c20-14-7-4-8-15-17(14)18(24-16-10-12-22-26-16)25-19(23-15)21-11-9-13-5-2-1-3-6-13/h1-8,10,12H,9,11H2,(H3,21,22,23,24,25,26)
InChIKeyNTVUTMTUCDCUQL-UHFFFAOYSA-N
MW348.39 g/mol
LogP3.89
Rot. Bonds6

About 5-fluoro-2-N-(2-phenylethyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine

5-fluoro-2-N-(2-phenylethyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine (PubChem CID 164628478) has the molecular formula C19H17FN6 and a molecular weight of 348.39 g/mol. Its IUPAC name is 5-fluoro-2-N-(2-phenylethyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-2-N-(2-phenylethyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
PubChem CID164628478
Molecular FormulaC19H17FN6
Molecular Weight348.39 g/mol
Exact Mass348.15
IUPAC Name5-fluoro-2-N-(2-phenylethyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
SMILESFc1cccc2nc(NCCc3ccccc3)nc(Nc3ccn[nH]3)c12
InChIInChI=1S/C19H17FN6/c20-14-7-4-8-15-17(14)18(24-16-10-12-22-26-16)25-19(23-15)21-11-9-13-5-2-1-3-6-13/h1-8,10,12H,9,11H2,(H3,21,22,23,24,25,26)
InChIKeyNTVUTMTUCDCUQL-UHFFFAOYSA-N
XLogP3.89
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-N-(2-phenylethyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine?
The IUPAC name of 5-fluoro-2-N-(2-phenylethyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine (CID 164628478) is 5-fluoro-2-N-(2-phenylethyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine.
What is the SMILES notation for 5-fluoro-2-N-(2-phenylethyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine?
The canonical SMILES for 5-fluoro-2-N-(2-phenylethyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine is Fc1cccc2nc(NCCc3ccccc3)nc(Nc3ccn[nH]3)c12.
What is the InChIKey of 5-fluoro-2-N-(2-phenylethyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine?
The InChIKey is NTVUTMTUCDCUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6/c20-14-7-4-8-15-17(14)18(24-16-10-12-22-26-16)25-19(23-15)21-11-9-13-5-2-1-3-6-13/h1-8,10,12H,9,11H2,(H3,21,22,23,24,25,26).
What are the key properties of 5-fluoro-2-N-(2-phenylethyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine?
5-fluoro-2-N-(2-phenylethyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine has a molecular weight of 348.39 g/mol, XLogP of 3.89, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-N-(2-phenylethyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine is sourced from PubChem (CID 164628478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).