5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2,4-difluorophenyl)sulfanylquinazolin-4-amine

C20H15F2N5S — CID 10237584

IUPAC5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2,4-difluorophenyl)sulfanylquinazolin-4-amine
SMILESNc1nc(Sc2ccc(F)cc2F)nc2cccc(-c3cc(C4CC4)[nH]n3)c12
InChIInChI=1S/C20H15F2N5S/c21-11-6-7-17(13(22)8-11)28-20-24-14-3-1-2-12(18(14)19(23)25-20)16-9-15(26-27-16)10-4-5-10/h1-3,6-10H,4-5H2,(H,26,27)(H2,23,24,25)
InChIKeyZWQLXKLKKJCVSV-UHFFFAOYSA-N
MW395.44 g/mol
LogP4.91
Rot. Bonds4

About 5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2,4-difluorophenyl)sulfanylquinazolin-4-amine

5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2,4-difluorophenyl)sulfanylquinazolin-4-amine (PubChem CID 10237584) has the molecular formula C20H15F2N5S and a molecular weight of 395.44 g/mol. Its IUPAC name is 5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2,4-difluorophenyl)sulfanylquinazolin-4-amine.

Molecular Properties

Compound Name5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2,4-difluorophenyl)sulfanylquinazolin-4-amine
PubChem CID10237584
Molecular FormulaC20H15F2N5S
Molecular Weight395.44 g/mol
Exact Mass395.10
IUPAC Name5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2,4-difluorophenyl)sulfanylquinazolin-4-amine
SMILESNc1nc(Sc2ccc(F)cc2F)nc2cccc(-c3cc(C4CC4)[nH]n3)c12
InChIInChI=1S/C20H15F2N5S/c21-11-6-7-17(13(22)8-11)28-20-24-14-3-1-2-12(18(14)19(23)25-20)16-9-15(26-27-16)10-4-5-10/h1-3,6-10H,4-5H2,(H,26,27)(H2,23,24,25)
InChIKeyZWQLXKLKKJCVSV-UHFFFAOYSA-N
XLogP4.91
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1H-benzimidazol-2-ylsulfanyl)-5-(5-cyclopropyl-1H-pyrazol-3-yl)quinazolin-4-amine
CID 10172971
2-(4-aminophenyl)sulfanyl-5-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
CID 10236949
5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]-6-methylquinazoline-2,4-diamine
CID 68931437
(3S)-3-[3-(2,4-difluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 141288508
5-bromo-3-(5-cyclopropyl-1H-pyrazol-3-yl)pyridin-2-amine
CID 141469156
4-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 66490831
6-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(4-fluorophenyl)methyl]pyrimidine-2,4,5-triamine
CID 69150068
2-cyclopropyl-5-fluoroquinazolin-4-amine
CID 103624115
2,4-dichloro-6-(2,4-difluorophenyl)sulfanyl-1,3,5-triazine
CID 60726032
3-(dimethylamino)propyl N-[4-[4-amino-5-(5-methyl-1H-pyrazol-3-yl)quinazolin-2-yl]sulfanylphenyl]carbamate
CID 10310961
2-(2-chlorophenyl)sulfanyl-N-(5-cyclopropyl-1H-pyrazol-3-yl)quinazolin-4-amine
CID 10271923
2-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N-[(4-fluorophenyl)methyl]benzene-1,3-diamine
CID 68910804

Frequently Asked Questions

What is the IUPAC name of 5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2,4-difluorophenyl)sulfanylquinazolin-4-amine?
The IUPAC name of 5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2,4-difluorophenyl)sulfanylquinazolin-4-amine (CID 10237584) is 5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2,4-difluorophenyl)sulfanylquinazolin-4-amine.
What is the SMILES notation for 5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2,4-difluorophenyl)sulfanylquinazolin-4-amine?
The canonical SMILES for 5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2,4-difluorophenyl)sulfanylquinazolin-4-amine is Nc1nc(Sc2ccc(F)cc2F)nc2cccc(-c3cc(C4CC4)[nH]n3)c12.
What is the InChIKey of 5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2,4-difluorophenyl)sulfanylquinazolin-4-amine?
The InChIKey is ZWQLXKLKKJCVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N5S/c21-11-6-7-17(13(22)8-11)28-20-24-14-3-1-2-12(18(14)19(23)25-20)16-9-15(26-27-16)10-4-5-10/h1-3,6-10H,4-5H2,(H,26,27)(H2,23,24,25).
What are the key properties of 5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2,4-difluorophenyl)sulfanylquinazolin-4-amine?
5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2,4-difluorophenyl)sulfanylquinazolin-4-amine has a molecular weight of 395.44 g/mol, XLogP of 4.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2,4-difluorophenyl)sulfanylquinazolin-4-amine is sourced from PubChem (CID 10237584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).